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

C15H12N2O6S — CID 1093450

IUPAC2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)O)ccc21
InChIInChI=1S/C15H12N2O6S/c1-17-12-7-6-9(8-13(12)23-15(17)20)24(21,22)16-11-5-3-2-4-10(11)14(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyUMKQUTSSISIOSJ-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.63
Rot. Bonds4

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

2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid (PubChem CID 1093450) has the molecular formula C15H12N2O6S and a molecular weight of 348.34 g/mol. Its IUPAC name is 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid
PubChem CID1093450
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC Name2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)O)ccc21
InChIInChI=1S/C15H12N2O6S/c1-17-12-7-6-9(8-13(12)23-15(17)20)24(21,22)16-11-5-3-2-4-10(11)14(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyUMKQUTSSISIOSJ-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 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid (CID 1093450) is 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3C(=O)O)ccc21.
What is the InChIKey of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid?
The InChIKey is UMKQUTSSISIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c1-17-12-7-6-9(8-13(12)23-15(17)20)24(21,22)16-11-5-3-2-4-10(11)14(18)19/h2-8,16H,1H3,(H,18,19).
What are the key properties of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid?
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]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 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 1093450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).