2-(methanesulfonamido)-3-methylbenzoic acid

C9H11NO4S — CID 16773117

IUPAC2-(methanesulfonamido)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NS(C)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-6-4-3-5-7(9(11)12)8(6)10-15(2,13)14/h3-5,10H,1-2H3,(H,11,12)
InChIKeyKRQNVHVGWIKBIE-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.06
Rot. Bonds3

About 2-(methanesulfonamido)-3-methylbenzoic acid

2-(methanesulfonamido)-3-methylbenzoic acid (PubChem CID 16773117) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(methanesulfonamido)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-3-methylbenzoic acid
PubChem CID16773117
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-(methanesulfonamido)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NS(C)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-6-4-3-5-7(9(11)12)8(6)10-15(2,13)14/h3-5,10H,1-2H3,(H,11,12)
InChIKeyKRQNVHVGWIKBIE-UHFFFAOYSA-N
XLogP1.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methanesulfonamido)-3-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid
CID 43069587
3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 62998199
3-methyl-2-(2-methylsulfonylethylsulfonylamino)benzoic acid
CID 63245036
3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455802
2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 43069593
3-methyl-2-[[4-(methylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 39839388
2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069576
2-(cyclohexylmethylsulfonylamino)-3-methylbenzoic acid
CID 61453613
2-[(4-cyano-2-methylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 71874462
1-(methanesulfonamido)naphthalene-2-carboxylic acid
CID 151146757
3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43107263
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-3-methylbenzoic acid?
The IUPAC name of 2-(methanesulfonamido)-3-methylbenzoic acid (CID 16773117) is 2-(methanesulfonamido)-3-methylbenzoic acid.
What is the SMILES notation for 2-(methanesulfonamido)-3-methylbenzoic acid?
The canonical SMILES for 2-(methanesulfonamido)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)-3-methylbenzoic acid?
The InChIKey is KRQNVHVGWIKBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-6-4-3-5-7(9(11)12)8(6)10-15(2,13)14/h3-5,10H,1-2H3,(H,11,12).
What are the key properties of 2-(methanesulfonamido)-3-methylbenzoic acid?
2-(methanesulfonamido)-3-methylbenzoic acid has a molecular weight of 229.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-3-methylbenzoic acid is sourced from PubChem (CID 16773117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).