3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide

C17H13FN2O3S2 — CID 2807839

IUPAC3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S2/c18-12-6-8-13(9-7-12)25(22,23)20-14-10-15(24-16(14)17(19)21)11-4-2-1-3-5-11/h1-10,20H,(H2,19,21)
InChIKeySHQYAVJAGOQZRY-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.45
Rot. Bonds5

About 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide

3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide (PubChem CID 2807839) has the molecular formula C17H13FN2O3S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
PubChem CID2807839
Molecular FormulaC17H13FN2O3S2
Molecular Weight376.43 g/mol
Exact Mass376.04
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S2/c18-12-6-8-13(9-7-12)25(22,23)20-14-10-15(24-16(14)17(19)21)11-4-2-1-3-5-11/h1-10,20H,(H2,19,21)
InChIKeySHQYAVJAGOQZRY-UHFFFAOYSA-N
XLogP3.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide (CID 2807839) is 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide is NC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide?
The InChIKey is SHQYAVJAGOQZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S2/c18-12-6-8-13(9-7-12)25(22,23)20-14-10-15(24-16(14)17(19)21)11-4-2-1-3-5-11/h1-10,20H,(H2,19,21).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide?
3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 2807839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).