2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

C12H12N2O5S2 — CID 61275975

IUPAC2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(C(=O)O)c1C
InChIInChI=1S/C12H12N2O5S2/c1-6-8(10(15)16)4-3-5-9(6)14-21(18,19)11-7(2)13-12(17)20-11/h3-5,14H,1-2H3,(H,13,17)(H,15,16)
InChIKeyCXMKMZNFPHJFHB-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.55
Rot. Bonds4

About 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 61275975) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
PubChem CID61275975
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(C(=O)O)c1C
InChIInChI=1S/C12H12N2O5S2/c1-6-8(10(15)16)4-3-5-9(6)14-21(18,19)11-7(2)13-12(17)20-11/h3-5,14H,1-2H3,(H,13,17)(H,15,16)
InChIKeyCXMKMZNFPHJFHB-UHFFFAOYSA-N
XLogP1.55
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid with MolForge

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Related Compounds

2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60971346
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 61275775
N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60985038
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide
CID 80547490
3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 166178665
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
3-(1-carboxyethylsulfonylamino)-2-methylbenzoic acid
CID 61454859
N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (CID 61275975) is 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(C(=O)O)c1C.
What is the InChIKey of 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is CXMKMZNFPHJFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-6-8(10(15)16)4-3-5-9(6)14-21(18,19)11-7(2)13-12(17)20-11/h3-5,14H,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 61275975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).