N-(2-chloroquinolin-8-yl)benzenesulfonamide

C15H11ClN2O2S — CID 86669756

IUPACN-(2-chloroquinolin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccc(Cl)nc12)c1ccccc1
InChIInChI=1S/C15H11ClN2O2S/c16-14-10-9-11-5-4-8-13(15(11)17-14)18-21(19,20)12-6-2-1-3-7-12/h1-10,18H
InChIKeyPIBCOAKBRKEBPK-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.69
Rot. Bonds3

About N-(2-chloroquinolin-8-yl)benzenesulfonamide

N-(2-chloroquinolin-8-yl)benzenesulfonamide (PubChem CID 86669756) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is N-(2-chloroquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloroquinolin-8-yl)benzenesulfonamide
PubChem CID86669756
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC NameN-(2-chloroquinolin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccc(Cl)nc12)c1ccccc1
InChIInChI=1S/C15H11ClN2O2S/c16-14-10-9-11-5-4-8-13(15(11)17-14)18-21(19,20)12-6-2-1-3-7-12/h1-10,18H
InChIKeyPIBCOAKBRKEBPK-UHFFFAOYSA-N
XLogP3.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloroquinolin-8-yl)benzenesulfonamide 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-(2-chloroquinolin-8-yl)benzenesulfonamide?
The IUPAC name of N-(2-chloroquinolin-8-yl)benzenesulfonamide (CID 86669756) is N-(2-chloroquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloroquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for N-(2-chloroquinolin-8-yl)benzenesulfonamide is O=S(=O)(Nc1cccc2ccc(Cl)nc12)c1ccccc1.
What is the InChIKey of N-(2-chloroquinolin-8-yl)benzenesulfonamide?
The InChIKey is PIBCOAKBRKEBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-14-10-9-11-5-4-8-13(15(11)17-14)18-21(19,20)12-6-2-1-3-7-12/h1-10,18H.
What are the key properties of N-(2-chloroquinolin-8-yl)benzenesulfonamide?
N-(2-chloroquinolin-8-yl)benzenesulfonamide has a molecular weight of 318.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 86669756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).