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

C13H12ClN3O3S — CID 43216964

IUPAC4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C13H12ClN3O3S/c14-10-5-6-16-12(7-10)13(18)17-8-9-1-3-11(4-2-9)21(15,19)20/h1-7H,8H2,(H,17,18)(H2,15,19,20)
InChIKeyQLKWRGCVVVMQHJ-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.31
Rot. Bonds4

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

4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 43216964) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
PubChem CID43216964
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C13H12ClN3O3S/c14-10-5-6-16-12(7-10)13(18)17-8-9-1-3-11(4-2-9)21(15,19)20/h1-7H,8H2,(H,17,18)(H2,15,19,20)
InChIKeyQLKWRGCVVVMQHJ-UHFFFAOYSA-N
XLogP1.31
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26585972
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide (CID 43216964) is 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is QLKWRGCVVVMQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-10-5-6-16-12(7-10)13(18)17-8-9-1-3-11(4-2-9)21(15,19)20/h1-7H,8H2,(H,17,18)(H2,15,19,20).
What are the key properties of 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 325.78 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 43216964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).