2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol

C13H18ClNO3S — CID 54878321

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCCC1CCO
InChIInChI=1S/C13H18ClNO3S/c14-11-4-6-13(7-5-11)19(17,18)15-9-2-1-3-12(15)8-10-16/h4-7,12,16H,1-3,8-10H2
InChIKeyQRXVXDRUOVWNJU-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.27
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol

2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 54878321) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
PubChem CID54878321
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCCC1CCO
InChIInChI=1S/C13H18ClNO3S/c14-11-4-6-13(7-5-11)19(17,18)15-9-2-1-3-12(15)8-10-16/h4-7,12,16H,1-3,8-10H2
InChIKeyQRXVXDRUOVWNJU-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-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

Related Compounds

2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60956507
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 60957878
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol
CID 11501806
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
CID 43104623
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
CID 41195965
N'-(4-chlorophenyl)-N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195983
N-[2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(3-methylbutyl)oxamide
CID 41196002
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol (CID 54878321) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol is O=S(=O)(c1ccc(Cl)cc1)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is QRXVXDRUOVWNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-11-4-6-13(7-5-11)19(17,18)15-9-2-1-3-12(15)8-10-16/h4-7,12,16H,1-3,8-10H2.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 303.81 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 54878321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).