N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide

C17H17ClN2O3S — CID 7517567

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide
SMILESCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-12(21)20-9-3-4-13-7-8-15(11-17(13)20)19-24(22,23)16-6-2-5-14(18)10-16/h2,5-8,10-11,19H,3-4,9H2,1H3
InChIKeyIETDOVGITBIPED-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.44
Rot. Bonds3

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide (PubChem CID 7517567) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide
PubChem CID7517567
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide
SMILESCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-12(21)20-9-3-4-13-7-8-15(11-17(13)20)19-24(22,23)16-6-2-5-14(18)10-16/h2,5-8,10-11,19H,3-4,9H2,1H3
InChIKeyIETDOVGITBIPED-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide (CID 7517567) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide is CC(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide?
The InChIKey is IETDOVGITBIPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-12(21)20-9-3-4-13-7-8-15(11-17(13)20)19-24(22,23)16-6-2-5-14(18)10-16/h2,5-8,10-11,19H,3-4,9H2,1H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 7517567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).