2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide

C23H19N3O3S — CID 1212425

IUPAC2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H19N3O3S/c24-30(28,29)18-12-10-16(11-13-18)15-25-23(27)20-14-22(17-6-2-1-3-7-17)26-21-9-5-4-8-19(20)21/h1-14H,15H2,(H,25,27)(H2,24,28,29)
InChIKeyLRAWLZJNTUZDHQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.48
Rot. Bonds5

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

2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 1212425) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
PubChem CID1212425
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H19N3O3S/c24-30(28,29)18-12-10-16(11-13-18)15-25-23(27)20-14-22(17-6-2-1-3-7-17)26-21-9-5-4-8-19(20)21/h1-14H,15H2,(H,25,27)(H2,24,28,29)
InChIKeyLRAWLZJNTUZDHQ-UHFFFAOYSA-N
XLogP3.48
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2168182
2-(3-propan-2-yloxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1261936
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2965713
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1023165
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 167874087
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide (CID 1212425) is 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is LRAWLZJNTUZDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c24-30(28,29)18-12-10-16(11-13-18)15-25-23(27)20-14-22(17-6-2-1-3-7-17)26-21-9-5-4-8-19(20)21/h1-14H,15H2,(H,25,27)(H2,24,28,29).
What are the key properties of 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide?
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1212425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).