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

C11H9ClN2O4S2 — CID 60868855

IUPAC5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C11H9ClN2O4S2/c1-6-9(11(15)16)10(19-13-6)14-20(17,18)8-5-3-2-4-7(8)12/h2-5,14H,1H3,(H,15,16)
InChIKeyWWZWXRWSKSTEEW-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.60
Rot. Bonds4

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

5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60868855) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60868855
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Name5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NS(=O)(=O)c2ccccc2Cl)c1C(=O)O
InChIInChI=1S/C11H9ClN2O4S2/c1-6-9(11(15)16)10(19-13-6)14-20(17,18)8-5-3-2-4-7(8)12/h2-5,14H,1H3,(H,15,16)
InChIKeyWWZWXRWSKSTEEW-UHFFFAOYSA-N
XLogP2.60
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 105399703
5-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869980
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846
5-[(2,4-dimethylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869394
5-[(2-fluoro-5-methylphenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870153
5-[(3-bromothiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 61458183
3-methyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylic acid
CID 79402917
5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79988799
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43123347
5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402056
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60868855) is 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NS(=O)(=O)c2ccccc2Cl)c1C(=O)O.
What is the InChIKey of 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is WWZWXRWSKSTEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c1-6-9(11(15)16)10(19-13-6)14-20(17,18)8-5-3-2-4-7(8)12/h2-5,14H,1H3,(H,15,16).
What are the key properties of 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 332.79 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).