6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C22H17ClN4O3S — CID 1261960

IUPAC6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-15-6-9-19-17(11-15)18(12-21(27-19)20-3-1-2-10-25-20)22(28)26-13-14-4-7-16(8-5-14)31(24,29)30/h1-12H,13H2,(H,26,28)(H2,24,29,30)
InChIKeyGXOHYVMGAJUGMV-UHFFFAOYSA-N
MW452.92 g/mol
LogP3.53
Rot. Bonds5

About 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 1261960) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID1261960
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-15-6-9-19-17(11-15)18(12-21(27-19)20-3-1-2-10-25-20)22(28)26-13-14-4-7-16(8-5-14)31(24,29)30/h1-12H,13H2,(H,26,28)(H2,24,29,30)
InChIKeyGXOHYVMGAJUGMV-UHFFFAOYSA-N
XLogP3.53
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 1261960) is 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is GXOHYVMGAJUGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-15-6-9-19-17(11-15)18(12-21(27-19)20-3-1-2-10-25-20)22(28)26-13-14-4-7-16(8-5-14)31(24,29)30/h1-12H,13H2,(H,26,28)(H2,24,29,30).
What are the key properties of 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1261960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).