3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid

C12H10FNO4S2 — CID 114915196

IUPAC3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO4S2/c1-7-6-19-11(12(15)16)10(7)14-20(17,18)9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyFKIAIXLLPXQTIH-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.69
Rot. Bonds4

About 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid

3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114915196) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
PubChem CID114915196
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H10FNO4S2/c1-7-6-19-11(12(15)16)10(7)14-20(17,18)9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyFKIAIXLLPXQTIH-UHFFFAOYSA-N
XLogP2.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid (CID 114915196) is 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is FKIAIXLLPXQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c1-7-6-19-11(12(15)16)10(7)14-20(17,18)9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114915196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).