1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol

C14H20ClNO3S — CID 115966792

IUPAC1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO3S/c1-11(17)12-6-7-16(10-12)8-9-20(18,19)14-4-2-13(15)3-5-14/h2-5,11-12,17H,6-10H2,1H3
InChIKeyCQUIVTHTXJKXMT-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.82
Rot. Bonds5

About 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol (PubChem CID 115966792) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol
PubChem CID115966792
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO3S/c1-11(17)12-6-7-16(10-12)8-9-20(18,19)14-4-2-13(15)3-5-14/h2-5,11-12,17H,6-10H2,1H3
InChIKeyCQUIVTHTXJKXMT-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol (CID 115966792) is 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is CQUIVTHTXJKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11(17)12-6-7-16(10-12)8-9-20(18,19)14-4-2-13(15)3-5-14/h2-5,11-12,17H,6-10H2,1H3.
What are the key properties of 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 317.84 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115966792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).