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

C11H8ClFN2O4S2 — CID 105399703

IUPAC5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2cc(F)ccc2Cl)c1C(=O)O
InChIInChI=1S/C11H8ClFN2O4S2/c1-5-9(11(16)17)10(20-14-5)15-21(18,19)8-4-6(13)2-3-7(8)12/h2-4,15H,1H3,(H,16,17)
InChIKeyCZYXLLLEMLHFOO-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.74
Rot. Bonds4

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

5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 105399703) has the molecular formula C11H8ClFN2O4S2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID105399703
Molecular FormulaC11H8ClFN2O4S2
Molecular Weight350.78 g/mol
Exact Mass349.96
IUPAC Name5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2cc(F)ccc2Cl)c1C(=O)O
InChIInChI=1S/C11H8ClFN2O4S2/c1-5-9(11(16)17)10(20-14-5)15-21(18,19)8-4-6(13)2-3-7(8)12/h2-4,15H,1H3,(H,16,17)
InChIKeyCZYXLLLEMLHFOO-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-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868855
5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869980
5-[(2-fluoro-5-methylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870153
5-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869394
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
CID 86790541
5-[(3-bromothiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 61458183
5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79988799
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
CID 105399818
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 105399703) is 5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NS(=O)(=O)c2cc(F)ccc2Cl)c1C(=O)O.
What is the InChIKey of 5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is CZYXLLLEMLHFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O4S2/c1-5-9(11(16)17)10(20-14-5)15-21(18,19)8-4-6(13)2-3-7(8)12/h2-4,15H,1H3,(H,16,17).
What are the key properties of 5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(2-chloro-5-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-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 105399703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).