4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide

C12H11FN2O3S2 — CID 6503928

IUPAC4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cs1
InChIInChI=1S/C12H11FN2O3S2/c1-14-12(16)11-6-10(7-19-11)20(17,18)15-9-4-2-3-8(13)5-9/h2-7,15H,1H3,(H,14,16)
InChIKeyDTYHMLZOHZPFKP-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.05
Rot. Bonds4

About 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide

4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide (PubChem CID 6503928) has the molecular formula C12H11FN2O3S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
PubChem CID6503928
Molecular FormulaC12H11FN2O3S2
Molecular Weight314.36 g/mol
Exact Mass314.02
IUPAC Name4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cs1
InChIInChI=1S/C12H11FN2O3S2/c1-14-12(16)11-6-10(7-19-11)20(17,18)15-9-4-2-3-8(13)5-9/h2-7,15H,1H3,(H,14,16)
InChIKeyDTYHMLZOHZPFKP-UHFFFAOYSA-N
XLogP2.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid
CID 27261800
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate
CID 6503946
4-[ethyl(methyl)sulfamoyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 6503172
N-(2-methylphenyl)-4-[(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6504099
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
3-[[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophen-3-yl]sulfonylamino]benzoic acid
CID 6504149
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide (CID 6503928) is 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cs1.
What is the InChIKey of 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide?
The InChIKey is DTYHMLZOHZPFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S2/c1-14-12(16)11-6-10(7-19-11)20(17,18)15-9-4-2-3-8(13)5-9/h2-7,15H,1H3,(H,14,16).
What are the key properties of 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide?
4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 6503928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).