5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

C12H10ClNO4S2 — CID 43123347

IUPAC5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccccc2Cl)sc1C(=O)O
InChIInChI=1S/C12H10ClNO4S2/c1-7-6-10(19-11(7)12(15)16)14-20(17,18)9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16)
InChIKeyFQHXNWRCCAKUSK-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.21
Rot. Bonds4

About 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43123347) has the molecular formula C12H10ClNO4S2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43123347
Molecular FormulaC12H10ClNO4S2
Molecular Weight331.80 g/mol
Exact Mass330.97
IUPAC Name5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccccc2Cl)sc1C(=O)O
InChIInChI=1S/C12H10ClNO4S2/c1-7-6-10(19-11(7)12(15)16)14-20(17,18)9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16)
InChIKeyFQHXNWRCCAKUSK-UHFFFAOYSA-N
XLogP3.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172847
5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361345
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172845
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 103298683
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 29300535
5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356654

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (CID 43123347) is 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2ccccc2Cl)sc1C(=O)O.
What is the InChIKey of 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is FQHXNWRCCAKUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S2/c1-7-6-10(19-11(7)12(15)16)14-20(17,18)9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 331.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43123347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).