[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol

C12H14Cl3NO3S — CID 60957920

IUPAC[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC(CO)CC1
InChIInChI=1S/C12H14Cl3NO3S/c13-9-5-10(14)12(11(15)6-9)20(18,19)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7H2
InChIKeyMKBADAVJOPRVGH-UHFFFAOYSA-N
MW358.67 g/mol
LogP3.04
Rot. Bonds3

About [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol

[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 60957920) has the molecular formula C12H14Cl3NO3S and a molecular weight of 358.67 g/mol. Its IUPAC name is [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID60957920
Molecular FormulaC12H14Cl3NO3S
Molecular Weight358.67 g/mol
Exact Mass356.98
IUPAC Name[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC(CO)CC1
InChIInChI=1S/C12H14Cl3NO3S/c13-9-5-10(14)12(11(15)6-9)20(18,19)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7H2
InChIKeyMKBADAVJOPRVGH-UHFFFAOYSA-N
XLogP3.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 71103813
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799
3-(2,4,6-trichlorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314141
[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(chloromethyl)piperidine
CID 63400747
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374
[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 80577698
1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 62918182
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
CID 120714269

Frequently Asked Questions

What is the IUPAC name of [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol (CID 60957920) is [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol is O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC(CO)CC1.
What is the InChIKey of [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is MKBADAVJOPRVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO3S/c13-9-5-10(14)12(11(15)6-9)20(18,19)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7H2.
What are the key properties of [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol?
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 358.67 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 60957920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).