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

C12H15Cl2NO3S — CID 66570215

IUPAC[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO)CC1
InChIInChI=1S/C12H15Cl2NO3S/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
InChIKeyPAYSNQOXFWTYSG-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.39
Rot. Bonds3

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

[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 66570215) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID66570215
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO)CC1
InChIInChI=1S/C12H15Cl2NO3S/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
InChIKeyPAYSNQOXFWTYSG-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
N-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136420
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
CID 81241911
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394334
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
2-[1-(2-amino-4-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796780

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol (CID 66570215) is [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol is O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO)CC1.
What is the InChIKey of [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is PAYSNQOXFWTYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/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-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol?
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 324.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 66570215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).