2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

C12H20Cl2N2O2S — CID 120715884

IUPAC2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(C)cc1Cl.Cl
InChIInChI=1S/C12H19ClN2O2S.ClH/c1-3-6-14-7-8-15-18(16,17)12-5-4-10(2)9-11(12)13;/h4-5,9,14-15H,3,6-8H2,1-2H3;1H
InChIKeyDDONWBXTKIBBNV-UHFFFAOYSA-N
MW327.28 g/mol
LogP2.35
Rot. Bonds7

About 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120715884) has the molecular formula C12H20Cl2N2O2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120715884
Molecular FormulaC12H20Cl2N2O2S
Molecular Weight327.28 g/mol
Exact Mass326.06
IUPAC Name2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(C)cc1Cl.Cl
InChIInChI=1S/C12H19ClN2O2S.ClH/c1-3-6-14-7-8-15-18(16,17)12-5-4-10(2)9-11(12)13;/h4-5,9,14-15H,3,6-8H2,1-2H3;1H
InChIKeyDDONWBXTKIBBNV-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methyl-N-[2-(propylamino)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-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
methyl 3-chloro-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716497
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
2,5-dimethyl-3-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716036
3-chloro-2-cyano-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716507
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120715884) is 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1ccc(C)cc1Cl.Cl.
What is the InChIKey of 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is DDONWBXTKIBBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S.ClH/c1-3-6-14-7-8-15-18(16,17)12-5-4-10(2)9-11(12)13;/h4-5,9,14-15H,3,6-8H2,1-2H3;1H.
What are the key properties of 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 327.28 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120715884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).