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

C15H12N2O6S — CID 1093447

IUPAC4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C15H12N2O6S/c1-17-12-7-6-11(8-13(12)23-15(17)20)24(21,22)16-10-4-2-9(3-5-10)14(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyUZDVWHQYLHGBAA-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.63
Rot. Bonds4

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

4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid (PubChem CID 1093447) 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)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid
PubChem CID1093447
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC Name4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C15H12N2O6S/c1-17-12-7-6-11(8-13(12)23-15(17)20)24(21,22)16-10-4-2-9(3-5-10)14(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyUZDVWHQYLHGBAA-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

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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
N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 5308219
3-methyl-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 751870
3-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid
CID 654332
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-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid benzylamide
CID 1093461
ethyl 4-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]benzoate
CID 2538398
N-[2-methoxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)sulfamoyl]phenyl]acetamide
CID 2542429
4-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}benzoic acid
CID 6484778

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid (CID 1093447) is 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc21.
What is the InChIKey of 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid?
The InChIKey is UZDVWHQYLHGBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c1-17-12-7-6-11(8-13(12)23-15(17)20)24(21,22)16-10-4-2-9(3-5-10)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)sulfonylamino]benzoic acid?
4-[(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 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 1093447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).