1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol

C12H13ClF3NO3S — CID 43394334

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C12H13ClF3NO3S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)17-5-3-9(18)4-6-17/h1-2,7,9,18H,3-6H2
InChIKeyWJTJFEHJHAOCBM-UHFFFAOYSA-N
MW343.75 g/mol
LogP2.50
Rot. Bonds2

About 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol

1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol (PubChem CID 43394334) has the molecular formula C12H13ClF3NO3S and a molecular weight of 343.75 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
PubChem CID43394334
Molecular FormulaC12H13ClF3NO3S
Molecular Weight343.75 g/mol
Exact Mass343.03
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C12H13ClF3NO3S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)17-5-3-9(18)4-6-17/h1-2,7,9,18H,3-6H2
InChIKeyWJTJFEHJHAOCBM-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
CID 79031548
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
N-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990512
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 55352620
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982070
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959137

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol (CID 43394334) is 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The InChIKey is WJTJFEHJHAOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO3S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)17-5-3-9(18)4-6-17/h1-2,7,9,18H,3-6H2.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol has a molecular weight of 343.75 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 43394334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).