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

C13H13N3O3S — CID 2575978

IUPACN-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)11-6-4-10(5-7-11)9-16-13(17)12-3-1-2-8-15-12/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChIKeyKTDXQAXRIPJFHA-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.66
Rot. Bonds4

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

N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 2575978) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
PubChem CID2575978
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)11-6-4-10(5-7-11)9-16-13(17)12-3-1-2-8-15-12/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChIKeyKTDXQAXRIPJFHA-UHFFFAOYSA-N
XLogP0.66
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide (CID 2575978) is N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is KTDXQAXRIPJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-20(18,19)11-6-4-10(5-7-11)9-16-13(17)12-3-1-2-8-15-12/h1-8H,9H2,(H,16,17)(H2,14,18,19).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 2575978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).