4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide

C17H14FN3O3S2 — CID 6503752

IUPAC4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C17H14FN3O3S2/c1-21(14-6-4-12(18)5-7-14)26(23,24)15-9-16(25-11-15)17(22)20-13-3-2-8-19-10-13/h2-11H,1H3,(H,20,22)
InChIKeyLTTUXFOGQTWCMO-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.36
Rot. Bonds5

About 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide

4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 6503752) has the molecular formula C17H14FN3O3S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID6503752
Molecular FormulaC17H14FN3O3S2
Molecular Weight391.45 g/mol
Exact Mass391.05
IUPAC Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C17H14FN3O3S2/c1-21(14-6-4-12(18)5-7-14)26(23,24)15-9-16(25-11-15)17(22)20-13-3-2-8-19-10-13/h2-11H,1H3,(H,20,22)
InChIKeyLTTUXFOGQTWCMO-UHFFFAOYSA-N
XLogP3.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide (CID 6503752) is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide is CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is LTTUXFOGQTWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S2/c1-21(14-6-4-12(18)5-7-14)26(23,24)15-9-16(25-11-15)17(22)20-13-3-2-8-19-10-13/h2-11H,1H3,(H,20,22).
What are the key properties of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide?
4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 6503752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).