4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride

C11H18Cl2N2O2S — CID 119973952

IUPAC4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(Cl)cc1C.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-3-13-6-7-14-17(15,16)11-5-4-10(12)8-9(11)2;/h4-5,8,13-14H,3,6-7H2,1-2H3;1H
InChIKeySVLNOZIAAHZFMY-UHFFFAOYSA-N
MW313.25 g/mol
LogP1.96
Rot. Bonds6

About 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride

4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119973952) has the molecular formula C11H18Cl2N2O2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119973952
Molecular FormulaC11H18Cl2N2O2S
Molecular Weight313.25 g/mol
Exact Mass312.05
IUPAC Name4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(Cl)cc1C.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-3-13-6-7-14-17(15,16)11-5-4-10(12)8-9(11)2;/h4-5,8,13-14H,3,6-7H2,1-2H3;1H
InChIKeySVLNOZIAAHZFMY-UHFFFAOYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;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

N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708903
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
4-chloro-N-(2-cyclopentylsulfanylethyl)-2-methylbenzenesulfonamide
CID 39657222
N-(2-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63730781
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407
N-[2-(ethylamino)ethyl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119973462
4-chloro-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994425

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride (CID 119973952) is 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc(Cl)cc1C.Cl.
What is the InChIKey of 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is SVLNOZIAAHZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S.ClH/c1-3-13-6-7-14-17(15,16)11-5-4-10(12)8-9(11)2;/h4-5,8,13-14H,3,6-7H2,1-2H3;1H.
What are the key properties of 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride?
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 313.25 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).