N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide

C12H11FN2O3S2 — CID 36650519

IUPACN-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C12H11FN2O3S2/c1-7-2-3-9(5-10(7)13)15-12(16)8-4-11(19-6-8)20(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyFINSALCARGPSNJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.10
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide

N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 36650519) has the molecular formula C12H11FN2O3S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID36650519
Molecular FormulaC12H11FN2O3S2
Molecular Weight314.36 g/mol
Exact Mass314.02
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C12H11FN2O3S2/c1-7-2-3-9(5-10(7)13)15-12(16)8-4-11(19-6-8)20(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyFINSALCARGPSNJ-UHFFFAOYSA-N
XLogP2.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-fluoro-4-methylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79692282
N-[3,5-bis(trifluoromethyl)phenyl]-5-sulfamoylthiophene-3-carboxamide
CID 39121085
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9210618
N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide
CID 134045577
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-sulfamoylthiophene-3-carboxamide
CID 55462745
N-(3-fluoro-4-sulfamoylphenyl)benzamide
CID 43246704
N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124593
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide (CID 36650519) is N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide is Cc1ccc(NC(=O)c2csc(S(N)(=O)=O)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is FINSALCARGPSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S2/c1-7-2-3-9(5-10(7)13)15-12(16)8-4-11(19-6-8)20(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 36650519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).