2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid

C10H12N2O6S — CID 113343908

IUPAC2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C10H12N2O6S/c1-6-3-4-8(7(5-6)9(13)14)11-19(16,17)12-10(15)18-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14)
InChIKeyQRRRJOAITFWEOJ-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.71
Rot. Bonds4

About 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid

2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid (PubChem CID 113343908) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid
PubChem CID113343908
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C10H12N2O6S/c1-6-3-4-8(7(5-6)9(13)14)11-19(16,17)12-10(15)18-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14)
InChIKeyQRRRJOAITFWEOJ-UHFFFAOYSA-N
XLogP0.71
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(methoxycarbonylsulfamoylamino)-5-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

5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
CID 114462428
methyl 2-(methoxycarbonylsulfamoylamino)benzoate
CID 115872550
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
5-methyl-2-(2-methylpropylsulfonylamino)benzoic acid
CID 62999145
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
5-methyl-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]benzoic acid
CID 51125949
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 43294353
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid?
The IUPAC name of 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid (CID 113343908) is 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid.
What is the SMILES notation for 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid?
The canonical SMILES for 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid is COC(=O)NS(=O)(=O)Nc1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid?
The InChIKey is QRRRJOAITFWEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-6-3-4-8(7(5-6)9(13)14)11-19(16,17)12-10(15)18-2/h3-5,11H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid?
2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid has a molecular weight of 288.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid is sourced from PubChem (CID 113343908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).