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

C15H12N2O6S — CID 7465292

IUPAC2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid
SMILESCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H12N2O6S/c1-17(12-5-3-2-4-10(12)14(18)19)24(21,22)9-6-7-11-13(8-9)23-15(20)16-11/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKeyMFAQSPBAWWTZIW-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.64
Rot. Bonds4

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

2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid (PubChem CID 7465292) has the molecular formula C15H12N2O6S and a molecular weight of 348.34 g/mol. Its IUPAC name is 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid
PubChem CID7465292
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC Name2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid
SMILESCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H12N2O6S/c1-17(12-5-3-2-4-10(12)14(18)19)24(21,22)9-6-7-11-13(8-9)23-15(20)16-11/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKeyMFAQSPBAWWTZIW-UHFFFAOYSA-N
XLogP1.64
TPSA120.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid
CID 1093450
4-Methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid
CID 1871651
4-((3-Methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamido)methyl)benzoic acid
CID 4885703
3-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid
CID 654332
4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid
CID 1093447
4-[(3-Methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid ethyl ester
CID 1093449
2-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid methyl ester
CID 1093451
3-Methyl-N-(2-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 571695
4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid methyl ester
CID 974155
Sdccgsbi-0660103.P001
CID 1093448
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 2133606
N-(3-acetylphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 3243993

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid?
The IUPAC name of 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid (CID 7465292) is 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid.
What is the SMILES notation for 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid?
The canonical SMILES for 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid is CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid?
The InChIKey is MFAQSPBAWWTZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c1-17(12-5-3-2-4-10(12)14(18)19)24(21,22)9-6-7-11-13(8-9)23-15(20)16-11/h2-8H,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid?
2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid has a molecular weight of 348.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]benzoic acid is sourced from PubChem (CID 7465292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).