2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide

C19H16FN3O4S — CID 22612057

IUPAC2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O4S/c20-14-5-7-15(8-6-14)27-19-17(2-1-11-22-19)18(24)23-12-13-3-9-16(10-4-13)28(21,25)26/h1-11H,12H2,(H,23,24)(H2,21,25,26)
InChIKeyKXROFLVRAXUQHR-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.59
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide

2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 22612057) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
PubChem CID22612057
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC Name2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O4S/c20-14-5-7-15(8-6-14)27-19-17(2-1-11-22-19)18(24)23-12-13-3-9-16(10-4-13)28(21,25)26/h1-11H,12H2,(H,23,24)(H2,21,25,26)
InChIKeyKXROFLVRAXUQHR-UHFFFAOYSA-N
XLogP2.59
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide (CID 22612057) is 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KXROFLVRAXUQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c20-14-5-7-15(8-6-14)27-19-17(2-1-11-22-19)18(24)23-12-13-3-9-16(10-4-13)28(21,25)26/h1-11H,12H2,(H,23,24)(H2,21,25,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 22612057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).