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Product No: AV9929

Methyl 5-(Aminosulfonyl)-2-methoxybenzoate, >98.0%(HPLC)

Name: Methyl 5-(Aminosulfonyl)-2-methoxybenzoate
Brand: Chempure

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CAS Number

33045-52-2

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About this item

IUPAC name	methyl 2-methoxy-5-sulfamoylbenzoate
canonical smiles	COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC
inchi	InChI=1S/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)
inchi key	MKDYDRQLKPGNNU-UHFFFAOYSA-N
molecular formula	C9H11NO5S
synonyms	Methyl 2-methoxy-5-sulfamoylbenzoate 33045-52-2 Methyl 5-(Aminosulfonyl)-2-methoxybenzoate Methyl 5-sulfamoyl-o-anisate 2-Methoxy-5-sulfamoylbenzoic Acid Methyl Ester

Computed Properties

Molecular Weight:	245.25 g/mol
XLogP3:	0.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	4
Exact Mass:	245.03579362 g/mol
Monoisotopic Mass:	245.03579362 g/mol
Topological Polar Surface Area:	104 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	347
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Dichlorphenamide

Clofenamide

4-Methoxybenzenesulfonamide

Meticrane

3-Nitrobenzenesulfonamide

Indane-5-sulfonamide

3-Fluorobenzenesulfonamide

4-Ethylbenzenesulfonamide

4-Isothiocyanatobenzenesulfonamide

4-Azidobenzenesulfonamide

Pentafluorobenzenesulfonamide

Methyl 3-sulfamoylbenzoate

Methyl 5-chloro-2-methoxybenzoate

3-Methylbenzenesulfonamide

1,3-Benzenedisulfonic acid, dihydrazide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (90%) Skin Irrit. 2 (80%) Eye Irrit. 2 (10%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
hazard statements	H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	methyl 2-methoxy-5-sulfamoylbenzoate
canonical smiles	COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC
inchi	InChI=1S/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)
inchi key	MKDYDRQLKPGNNU-UHFFFAOYSA-N
molecular formula	C9H11NO5S
synonyms	Methyl 2-methoxy-5-sulfamoylbenzoate 33045-52-2 Methyl 5-(Aminosulfonyl)-2-methoxybenzoate Methyl 5-sulfamoyl-o-anisate 2-Methoxy-5-sulfamoylbenzoic Acid Methyl Ester

Computed Properties

Molecular Weight:	245.25 g/mol
XLogP3:	0.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	4
Exact Mass:	245.03579362 g/mol
Monoisotopic Mass:	245.03579362 g/mol
Topological Polar Surface Area:	104 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	347
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Dichlorphenamide

Clofenamide

4-Methoxybenzenesulfonamide

Meticrane

3-Nitrobenzenesulfonamide

Indane-5-sulfonamide

3-Fluorobenzenesulfonamide

4-Ethylbenzenesulfonamide

4-Isothiocyanatobenzenesulfonamide

4-Azidobenzenesulfonamide

Pentafluorobenzenesulfonamide

Methyl 3-sulfamoylbenzoate

Methyl 5-chloro-2-methoxybenzoate

3-Methylbenzenesulfonamide

1,3-Benzenedisulfonic acid, dihydrazide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (90%) Skin Irrit. 2 (80%) Eye Irrit. 2 (10%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
hazard statements	H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Product No: AV9929

Methyl 5-(Aminosulfonyl)-2-methoxybenzoate, >98.0%(HPLC)

Product No: AV9929

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AV9929

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?