1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol

C15H22ClNO3S — CID 103834553

IUPAC1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1
InChIInChI=1S/C15H22ClNO3S/c1-12(18)14-7-10-17(11-8-14)21(19,20)15-4-2-13(3-5-15)6-9-16/h2-5,12,14,18H,6-11H2,1H3
InChIKeyOZIQSTZKOJPCMG-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.25
Rot. Bonds5

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

1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol (PubChem CID 103834553) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
PubChem CID103834553
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1
InChIInChI=1S/C15H22ClNO3S/c1-12(18)14-7-10-17(11-8-14)21(19,20)15-4-2-13(3-5-15)6-9-16/h2-5,12,14,18H,6-11H2,1H3
InChIKeyOZIQSTZKOJPCMG-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-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

1-[4-(2-chloroethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43612626
1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 112627675
1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methylpiperidine
CID 28719601
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-[1-[(6-amino-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
CID 106835157
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834649
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
2-[4-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 103721169
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 115966566

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol (CID 103834553) is 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1.
What is the InChIKey of 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol?
The InChIKey is OZIQSTZKOJPCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-12(18)14-7-10-17(11-8-14)21(19,20)15-4-2-13(3-5-15)6-9-16/h2-5,12,14,18H,6-11H2,1H3.
What are the key properties of 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol?
1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol has a molecular weight of 331.87 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 103834553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).