[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol

C12H15ClFNO3S — CID 54878633

IUPAC[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCC(CO)CC1
InChIInChI=1S/C12H15ClFNO3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8H2
InChIKeyGVIGAEMHLZMILC-UHFFFAOYSA-N
MW307.77 g/mol
LogP1.87
Rot. Bonds3

About [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol

[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 54878633) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID54878633
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCC(CO)CC1
InChIInChI=1S/C12H15ClFNO3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8H2
InChIKeyGVIGAEMHLZMILC-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol 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-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol (CID 54878633) is [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol is O=S(=O)(c1ccc(Cl)cc1F)N1CCC(CO)CC1.
What is the InChIKey of [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is GVIGAEMHLZMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c13-10-1-2-12(11(14)7-10)19(17,18)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8H2.
What are the key properties of [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol?
[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 307.77 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 54878633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).