4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride

C17H21Cl3N2O3S — CID 17294143

IUPAC4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(S(N)(=O)=O)cc1.Cl
InChIInChI=1S/C17H20Cl2N2O3S.ClH/c1-2-24-17-13(9-14(18)10-16(17)19)11-21-8-7-12-3-5-15(6-4-12)25(20,22)23;/h3-6,9-10,21H,2,7-8,11H2,1H3,(H2,20,22,23);1H
InChIKeyDDVPMZULUXWKSV-UHFFFAOYSA-N
MW439.79 g/mol
LogP3.79
Rot. Bonds8

About 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride

4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 17294143) has the molecular formula C17H21Cl3N2O3S and a molecular weight of 439.79 g/mol. Its IUPAC name is 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID17294143
Molecular FormulaC17H21Cl3N2O3S
Molecular Weight439.79 g/mol
Exact Mass438.03
IUPAC Name4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(S(N)(=O)=O)cc1.Cl
InChIInChI=1S/C17H20Cl2N2O3S.ClH/c1-2-24-17-13(9-14(18)10-16(17)19)11-21-8-7-12-3-5-15(6-4-12)25(20,22)23;/h3-6,9-10,21H,2,7-8,11H2,1H3,(H2,20,22,23);1H
InChIKeyDDVPMZULUXWKSV-UHFFFAOYSA-N
XLogP3.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.79
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]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

Related Compounds

2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208622
4-[2-[(3,5-dibromo-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294144
4-[2-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 66532444
4-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292800
4-[2-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17212731
4-[2-[(3-bromo-4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17158026
4-[2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17293037
2-[2-chloro-6-ethoxy-4-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]acetamide
CID 4718653
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 29225270
4-[2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 4718398
4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 66531710
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride (CID 17294143) is 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride is CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(S(N)(=O)=O)cc1.Cl.
What is the InChIKey of 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is DDVPMZULUXWKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3S.ClH/c1-2-24-17-13(9-14(18)10-16(17)19)11-21-8-7-12-3-5-15(6-4-12)25(20,22)23;/h3-6,9-10,21H,2,7-8,11H2,1H3,(H2,20,22,23);1H.
What are the key properties of 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 439.79 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 17294143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).