4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid

C15H12N2O6S — CID 110779478

IUPAC4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
SMILESCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C15H12N2O6S/c1-17-12-7-4-10(8-13(12)23-15(17)20)16-24(21,22)11-5-2-9(3-6-11)14(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyKSUQAWDWVQYEMI-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.63
Rot. Bonds4

About 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid

4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid (PubChem CID 110779478) has the molecular formula C15H12N2O6S and a molecular weight of 348.34 g/mol. Its IUPAC name is 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
PubChem CID110779478
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC Name4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
SMILESCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C15H12N2O6S/c1-17-12-7-4-10(8-13(12)23-15(17)20)16-24(21,22)11-5-2-9(3-6-11)14(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyKSUQAWDWVQYEMI-UHFFFAOYSA-N
XLogP1.63
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic 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

N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]phenyl]propanamide
CID 46346366
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110728965
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46966763
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30782510
N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 30713736
N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346439
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901
N-(1H-indol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110730877

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid (CID 110779478) is 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid is Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)ccc21.
What is the InChIKey of 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid?
The InChIKey is KSUQAWDWVQYEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c1-17-12-7-4-10(8-13(12)23-15(17)20)16-24(21,22)11-5-2-9(3-6-11)14(18)19/h2-8,16H,1H3,(H,18,19).
What are the key properties of 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid?
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid has a molecular weight of 348.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 110779478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).