4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H7FN2O4S2 — CID 82013721

IUPAC4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H7FN2O4S2/c13-8-1-2-10(7(3-8)5-14)15-21(18,19)9-4-11(12(16)17)20-6-9/h1-4,6,15H,(H,16,17)
InChIKeyMPBBQBMRTBZJNA-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.26
Rot. Bonds4

About 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 82013721) has the molecular formula C12H7FN2O4S2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID82013721
Molecular FormulaC12H7FN2O4S2
Molecular Weight326.33 g/mol
Exact Mass325.98
IUPAC Name4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H7FN2O4S2/c13-8-1-2-10(7(3-8)5-14)15-21(18,19)9-4-11(12(16)17)20-6-9/h1-4,6,15H,(H,16,17)
InChIKeyMPBBQBMRTBZJNA-UHFFFAOYSA-N
XLogP2.26
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61063606
4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61062715
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
3-bromo-N-(2-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 82016117
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
3-cyano-4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]benzoic acid
CID 167476005
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675
4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 116812709
N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 75522425
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82684208
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 82013721) is 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is N#Cc1cc(F)ccc1NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is MPBBQBMRTBZJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O4S2/c13-8-1-2-10(7(3-8)5-14)15-21(18,19)9-4-11(12(16)17)20-6-9/h1-4,6,15H,(H,16,17).
What are the key properties of 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 326.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 82013721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).