N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide

C7H15ClN2O2S — CID 63396691

IUPACN-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CCCl)S(=O)(=O)N1CCCC1
InChIInChI=1S/C7H15ClN2O2S/c1-9(7-4-8)13(11,12)10-5-2-3-6-10/h2-7H2,1H3
InChIKeyLYROJWUJINNLRY-UHFFFAOYSA-N
MW226.73 g/mol
LogP0.50
Rot. Bonds4

About N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide

N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 63396691) has the molecular formula C7H15ClN2O2S and a molecular weight of 226.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID63396691
Molecular FormulaC7H15ClN2O2S
Molecular Weight226.73 g/mol
Exact Mass226.05
IUPAC NameN-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CCCl)S(=O)(=O)N1CCCC1
InChIInChI=1S/C7H15ClN2O2S/c1-9(7-4-8)13(11,12)10-5-2-3-6-10/h2-7H2,1H3
InChIKeyLYROJWUJINNLRY-UHFFFAOYSA-N
XLogP0.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide 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-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
CID 115317691
N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937
N-(2-hydroxypropyl)-N-methylpiperidine-1-sulfonamide
CID 62333146
N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide
CID 110705764
N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide
CID 79387780
N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide
CID 80671423
N-(2-chloroethyl)-N-cyclohexylazepane-1-sulfonamide
CID 63396474
N-(3-amino-2,2-dimethylpropyl)-N-methylazepane-1-sulfonamide
CID 79653279
N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide
CID 63396430
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide
CID 134025780
2-[2-[methyl(pyrrolidin-1-ylsulfonyl)amino]ethyl]benzoic acid
CID 104547128

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide (CID 63396691) is N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide is CN(CCCl)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is LYROJWUJINNLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O2S/c1-9(7-4-8)13(11,12)10-5-2-3-6-10/h2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide?
N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 226.73 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 63396691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).