5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C11H8ClFN2O4S2 — CID 60869980

IUPAC5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2ccc(Cl)cc2F)c1C(=O)O
InChIInChI=1S/C11H8ClFN2O4S2/c1-5-9(11(16)17)10(20-14-5)15-21(18,19)8-3-2-6(12)4-7(8)13/h2-4,15H,1H3,(H,16,17)
InChIKeyJZJSBXCNOJCXGN-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.74
Rot. Bonds4

About 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60869980) has the molecular formula C11H8ClFN2O4S2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60869980
Molecular FormulaC11H8ClFN2O4S2
Molecular Weight350.78 g/mol
Exact Mass349.96
IUPAC Name5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2ccc(Cl)cc2F)c1C(=O)O
InChIInChI=1S/C11H8ClFN2O4S2/c1-5-9(11(16)17)10(20-14-5)15-21(18,19)8-3-2-6(12)4-7(8)13/h2-4,15H,1H3,(H,16,17)
InChIKeyJZJSBXCNOJCXGN-UHFFFAOYSA-N
XLogP2.74
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluoro-5-methylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870153
5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 105399703
5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868855
5-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869394
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846
5-[2-(2,4-dichlorophenyl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402437
5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79403075
5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79988799
5-[(3-bromothiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 61458183
1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375825
5-[4-fluoro-3-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397206
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47104375

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60869980) is 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NS(=O)(=O)c2ccc(Cl)cc2F)c1C(=O)O.
What is the InChIKey of 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is JZJSBXCNOJCXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O4S2/c1-5-9(11(16)17)10(20-14-5)15-21(18,19)8-3-2-6(12)4-7(8)13/h2-4,15H,1H3,(H,16,17).
What are the key properties of 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 350.78 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).