4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide

C12H11FN2O3S2 — CID 20842956

IUPAC4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C12H11FN2O3S2/c13-9-3-1-8(2-4-9)6-15-20(17,18)10-5-11(12(14)16)19-7-10/h1-5,7,15H,6H2,(H2,14,16)
InChIKeyIYHZIYSTMHZYBL-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.46
Rot. Bonds5

About 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide

4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20842956) has the molecular formula C12H11FN2O3S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide
PubChem CID20842956
Molecular FormulaC12H11FN2O3S2
Molecular Weight314.36 g/mol
Exact Mass314.02
IUPAC Name4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C12H11FN2O3S2/c13-9-3-1-8(2-4-9)6-15-20(17,18)10-5-11(12(14)16)19-7-10/h1-5,7,15H,6H2,(H2,14,16)
InChIKeyIYHZIYSTMHZYBL-UHFFFAOYSA-N
XLogP1.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide (CID 20842956) is 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is IYHZIYSTMHZYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S2/c13-9-3-1-8(2-4-9)6-15-20(17,18)10-5-11(12(14)16)19-7-10/h1-5,7,15H,6H2,(H2,14,16).
What are the key properties of 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide?
4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20842956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).