2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium

C13H22ClN2O2S+ — CID 78225416

IUPAC2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3/p+1
InChIKeyMKQJIDUAXALKCV-UHFFFAOYSA-O
MW305.85 g/mol
LogP0.68
Rot. Bonds8

About 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium

2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium (PubChem CID 78225416) has the molecular formula C13H22ClN2O2S+ and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium
PubChem CID78225416
Molecular FormulaC13H22ClN2O2S+
Molecular Weight305.85 g/mol
Exact Mass305.11
IUPAC Name2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3/p+1
InChIKeyMKQJIDUAXALKCV-UHFFFAOYSA-O
XLogP0.68
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium 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

1-[(4-Chlorobenzyl)sulfonyl]-4-methylpiperazine
CID 2738373
1-[(2-Chlorophenyl)methylsulfonyl]-4-methylpiperazine
CID 2989467
1-(4-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 10543484
N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}methanesulfonamide
CID 2284492
1-[(2-Chlorophenyl)methylsulfonyl]-4-ethylpiperazine
CID 2985596
N-[2-(Diethylamino)ethyl]-1-(4-Methylphenyl)methanesulfonamide
CID 71677771
1-(4-Chlorophenyl)-N-[2-(Diethylamino)ethyl]methanesulfonamide
CID 71677773
1-(4-chlorophenyl)-N-methylmethanesulfonamide
CID 1248124
N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}methanesulfonamide
CID 1487278
1-(3,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
CID 72704500
Diethyl-[2-[(4-fluorophenyl)methylsulfonylamino]ethyl]azanium
CID 78225508
N-[2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 17611219

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium (CID 78225416) is 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium is CC[NH+](CC)CCNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium?
The InChIKey is MKQJIDUAXALKCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21ClN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3/p+1.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium?
2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium has a molecular weight of 305.85 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonylamino]ethyl-diethylazanium is sourced from PubChem (CID 78225416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).