2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide

C14H21ClN2O2S — CID 107651678

IUPAC2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C14H21ClN2O2S/c15-8-11-20(18,19)16-12-14(17-9-4-5-10-17)13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
InChIKeyNDIQMZVONUUCBK-UHFFFAOYSA-N
MW316.85 g/mol
LogP1.98
Rot. Bonds7

About 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide

2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide (PubChem CID 107651678) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
PubChem CID107651678
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C14H21ClN2O2S/c15-8-11-20(18,19)16-12-14(17-9-4-5-10-17)13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
InChIKeyNDIQMZVONUUCBK-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide 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-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110356277
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506670
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
CID 75765827
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 116815945
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide
CID 94177877
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506478
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
4-chloro-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55689576
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 55245447
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide (CID 107651678) is 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide is O=S(=O)(CCCl)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide?
The InChIKey is NDIQMZVONUUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c15-8-11-20(18,19)16-12-14(17-9-4-5-10-17)13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2.
What are the key properties of 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide?
2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide is sourced from PubChem (CID 107651678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).