N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide

C19H17ClN2O3S — CID 166333589

IUPACN-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)C(=O)NS(=O)(=O)c2cc(Cl)cc3cccnc23)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-12-5-7-14(8-6-12)13(2)19(23)22-26(24,25)17-11-16(20)10-15-4-3-9-21-18(15)17/h3-11,13H,1-2H3,(H,22,23)
InChIKeyBFOXUDDKBDXSHJ-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.81
Rot. Bonds4

About N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide

N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide (PubChem CID 166333589) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide
PubChem CID166333589
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)C(=O)NS(=O)(=O)c2cc(Cl)cc3cccnc23)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-12-5-7-14(8-6-12)13(2)19(23)22-26(24,25)17-11-16(20)10-15-4-3-9-21-18(15)17/h3-11,13H,1-2H3,(H,22,23)
InChIKeyBFOXUDDKBDXSHJ-UHFFFAOYSA-N
XLogP3.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide 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-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide (CID 166333589) is N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide is Cc1ccc(C(C)C(=O)NS(=O)(=O)c2cc(Cl)cc3cccnc23)cc1.
What is the InChIKey of N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide?
The InChIKey is BFOXUDDKBDXSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-12-5-7-14(8-6-12)13(2)19(23)22-26(24,25)17-11-16(20)10-15-4-3-9-21-18(15)17/h3-11,13H,1-2H3,(H,22,23).
What are the key properties of N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide?
N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide has a molecular weight of 388.88 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)sulfonyl-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 166333589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).