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

C13H18ClNO4S — CID 43589636

IUPAC[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-19-13-5-4-11(7-12(13)14)20(17,18)15-6-2-3-10(8-15)9-16/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyDNLDHGSHPUIWBD-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.74
Rot. Bonds4

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

[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43589636) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43589636
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-19-13-5-4-11(7-12(13)14)20(17,18)15-6-2-3-10(8-15)9-16/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChIKeyDNLDHGSHPUIWBD-UHFFFAOYSA-N
XLogP1.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol (CID 43589636) is [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol is COc1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is DNLDHGSHPUIWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-19-13-5-4-11(7-12(13)14)20(17,18)15-6-2-3-10(8-15)9-16/h4-5,7,10,16H,2-3,6,8-9H2,1H3.
What are the key properties of [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol?
[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 319.81 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43589636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).