3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride

C23H26Cl2N2O2S — CID 44536138

IUPAC3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCc1ccc(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1.Cl
InChIInChI=1S/C23H25ClN2O2S.ClH/c1-2-15-25-16-14-18-6-12-22(13-7-18)26-29(27,28)23-5-3-4-20(17-23)19-8-10-21(24)11-9-19;/h3-13,17,25-26H,2,14-16H2,1H3;1H
InChIKeyQYGYVIMJPDYSPN-UHFFFAOYSA-N
MW465.45 g/mol
LogP5.77
Rot. Bonds9

About 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride

3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride (PubChem CID 44536138) has the molecular formula C23H26Cl2N2O2S and a molecular weight of 465.45 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride
PubChem CID44536138
Molecular FormulaC23H26Cl2N2O2S
Molecular Weight465.45 g/mol
Exact Mass464.11
IUPAC Name3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCc1ccc(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1.Cl
InChIInChI=1S/C23H25ClN2O2S.ClH/c1-2-15-25-16-14-18-6-12-22(13-7-18)26-29(27,28)23-5-3-4-20(17-23)19-8-10-21(24)11-9-19;/h3-13,17,25-26H,2,14-16H2,1H3;1H
InChIKeyQYGYVIMJPDYSPN-UHFFFAOYSA-N
XLogP5.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.45
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride 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 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride (CID 44536138) is 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride is CCCNCCc1ccc(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride?
The InChIKey is QYGYVIMJPDYSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2S.ClH/c1-2-15-25-16-14-18-6-12-22(13-7-18)26-29(27,28)23-5-3-4-20(17-23)19-8-10-21(24)11-9-19;/h3-13,17,25-26H,2,14-16H2,1H3;1H.
What are the key properties of 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride?
3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride has a molecular weight of 465.45 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-[2-(propylamino)ethyl]phenyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 44536138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).