6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

C24H20ClN3O3S — CID 163322262

IUPAC6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H20ClN3O3S/c25-18-8-11-22-20(14-18)21(15-23(28-22)17-4-2-1-3-5-17)24(29)27-13-12-16-6-9-19(10-7-16)32(26,30)31/h1-11,14-15H,12-13H2,(H,27,29)(H2,26,30,31)
InChIKeyKDSAKJRDBSKYBB-UHFFFAOYSA-N
MW465.96 g/mol
LogP4.18
Rot. Bonds6

About 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 163322262) has the molecular formula C24H20ClN3O3S and a molecular weight of 465.96 g/mol. Its IUPAC name is 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID163322262
Molecular FormulaC24H20ClN3O3S
Molecular Weight465.96 g/mol
Exact Mass465.09
IUPAC Name6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H20ClN3O3S/c25-18-8-11-22-20(14-18)21(15-23(28-22)17-4-2-1-3-5-17)24(29)27-13-12-16-6-9-19(10-7-16)32(26,30)31/h1-11,14-15H,12-13H2,(H,27,29)(H2,26,30,31)
InChIKeyKDSAKJRDBSKYBB-UHFFFAOYSA-N
XLogP4.18
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (CID 163322262) is 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is KDSAKJRDBSKYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3S/c25-18-8-11-22-20(14-18)21(15-23(28-22)17-4-2-1-3-5-17)24(29)27-13-12-16-6-9-19(10-7-16)32(26,30)31/h1-11,14-15H,12-13H2,(H,27,29)(H2,26,30,31).
What are the key properties of 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 465.96 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 163322262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).