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

C13H18ClNO3S — CID 23963842

IUPAC[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCCCC2CO)cc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-10-5-6-12(8-13(10)14)19(17,18)15-7-3-2-4-11(15)9-16/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyYUXYIYXGQHRFJO-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.18
Rot. Bonds3

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

[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 23963842) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID23963842
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCCCC2CO)cc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-10-5-6-12(8-13(10)14)19(17,18)15-7-3-2-4-11(15)9-16/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyYUXYIYXGQHRFJO-UHFFFAOYSA-N
XLogP2.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol (CID 23963842) is [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CCCCC2CO)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is YUXYIYXGQHRFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10-5-6-12(8-13(10)14)19(17,18)15-7-3-2-4-11(15)9-16/h5-6,8,11,16H,2-4,7,9H2,1H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol?
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 303.81 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 23963842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).