3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H10FNO4S2 — CID 62811245

IUPAC3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccsc2C(=O)O)ccc1F
InChIInChI=1S/C12H10FNO4S2/c1-7-6-8(2-3-9(7)13)14-20(17,18)10-4-5-19-11(10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyMUWHCTZRWLYMJB-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.69
Rot. Bonds4

About 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 62811245) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID62811245
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC Name3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccsc2C(=O)O)ccc1F
InChIInChI=1S/C12H10FNO4S2/c1-7-6-8(2-3-9(7)13)14-20(17,18)10-4-5-19-11(10)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyMUWHCTZRWLYMJB-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 62811245) is 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2ccsc2C(=O)O)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is MUWHCTZRWLYMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c1-7-6-8(2-3-9(7)13)14-20(17,18)10-4-5-19-11(10)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-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-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 62811245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).