[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol

C12H15ClFNO3S — CID 43589698

IUPAC[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCCC(CO)C1
InChIInChI=1S/C12H15ClFNO3S/c13-10-3-4-12(11(14)6-10)19(17,18)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2
InChIKeyHJWYQKBKZUNENM-UHFFFAOYSA-N
MW307.77 g/mol
LogP1.87
Rot. Bonds3

About [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol

[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43589698) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43589698
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCCC(CO)C1
InChIInChI=1S/C12H15ClFNO3S/c13-10-3-4-12(11(14)6-10)19(17,18)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2
InChIKeyHJWYQKBKZUNENM-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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol (CID 43589698) is [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol is O=S(=O)(c1ccc(Cl)cc1F)N1CCCC(CO)C1.
What is the InChIKey of [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is HJWYQKBKZUNENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c13-10-3-4-12(11(14)6-10)19(17,18)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2.
What are the key properties of [1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-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-3-yl]methanol is sourced from PubChem (CID 43589698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).