4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide

C13H13FN2O3S2 — CID 6502917

IUPAC4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C13H13FN2O3S2/c1-8-12(7-11(20-8)13(17)15-2)21(18,19)16-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3,(H,15,17)
InChIKeyCUOCZRYLOPIZJV-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.36
Rot. Bonds4

About 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide

4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide (PubChem CID 6502917) has the molecular formula C13H13FN2O3S2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide
PubChem CID6502917
Molecular FormulaC13H13FN2O3S2
Molecular Weight328.39 g/mol
Exact Mass328.04
IUPAC Name4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C13H13FN2O3S2/c1-8-12(7-11(20-8)13(17)15-2)21(18,19)16-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3,(H,15,17)
InChIKeyCUOCZRYLOPIZJV-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 6502862
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride
CID 143195068
4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 6502861
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
1-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 134040533
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide (CID 6502917) is 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)s1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is CUOCZRYLOPIZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S2/c1-8-12(7-11(20-8)13(17)15-2)21(18,19)16-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3,(H,15,17).
What are the key properties of 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide?
4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfamoyl]-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 6502917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).