4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide

C17H16ClN3O2S — CID 4791777

IUPAC4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H16ClN3O2S/c18-13-3-6-15-16(8-10-21-17(15)11-13)20-9-7-12-1-4-14(5-2-12)24(19,22)23/h1-6,8,10-11H,7,9H2,(H,20,21)(H2,19,22,23)
InChIKeyBFYXJWMMSQXPTA-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.19
Rot. Bonds5

About 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 4791777) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID4791777
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H16ClN3O2S/c18-13-3-6-15-16(8-10-21-17(15)11-13)20-9-7-12-1-4-14(5-2-12)24(19,22)23/h1-6,8,10-11H,7,9H2,(H,20,21)(H2,19,22,23)
InChIKeyBFYXJWMMSQXPTA-UHFFFAOYSA-N
XLogP3.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]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 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide (CID 4791777) is 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is BFYXJWMMSQXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c18-13-3-6-15-16(8-10-21-17(15)11-13)20-9-7-12-1-4-14(5-2-12)24(19,22)23/h1-6,8,10-11H,7,9H2,(H,20,21)(H2,19,22,23).
What are the key properties of 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 4791777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).