2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C12H17ClN2O2S — CID 90938157

IUPAC2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCC1)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O2S/c13-11-5-1-2-6-12(11)18(16,17)14-7-10-15-8-3-4-9-15/h1-2,5-6,14H,3-4,7-10H2
InChIKeyXPLZRQRNBBMAHY-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.71
Rot. Bonds5

About 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 90938157) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID90938157
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCC1)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2O2S/c13-11-5-1-2-6-12(11)18(16,17)14-7-10-15-8-3-4-9-15/h1-2,5-6,14H,3-4,7-10H2
InChIKeyXPLZRQRNBBMAHY-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide 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-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 61061706
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 39302121
2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 103989092
2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177472
4-chloro-2-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206353
5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
CID 56955991
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 90938157) is 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is XPLZRQRNBBMAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-11-5-1-2-6-12(11)18(16,17)14-7-10-15-8-3-4-9-15/h1-2,5-6,14H,3-4,7-10H2.
What are the key properties of 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90938157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).