1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C18H17ClF3NO3S — CID 3282411

IUPAC1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17ClF3NO3S/c19-15-5-2-6-16(12-15)27(25,26)23-9-7-17(24,8-10-23)13-3-1-4-14(11-13)18(20,21)22/h1-6,11-12,24H,7-10H2
InChIKeyCQIMWVZCJZYWGG-UHFFFAOYSA-N
MW419.85 g/mol
LogP4.03
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 3282411) has the molecular formula C18H17ClF3NO3S and a molecular weight of 419.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID3282411
Molecular FormulaC18H17ClF3NO3S
Molecular Weight419.85 g/mol
Exact Mass419.06
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17ClF3NO3S/c19-15-5-2-6-16(12-15)27(25,26)23-9-7-17(24,8-10-23)13-3-1-4-14(11-13)18(20,21)22/h1-6,11-12,24H,7-10H2
InChIKeyCQIMWVZCJZYWGG-UHFFFAOYSA-N
XLogP4.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 4991432
1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl chloride
CID 20511834
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 4076822
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
1-[5-bromo-7-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 4225876
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501534
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylazepan-4-ol
CID 155991428

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 3282411) is 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is O=S(=O)(c1cccc(Cl)c1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is CQIMWVZCJZYWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO3S/c19-15-5-2-6-16(12-15)27(25,26)23-9-7-17(24,8-10-23)13-3-1-4-14(11-13)18(20,21)22/h1-6,11-12,24H,7-10H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 419.85 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 3282411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).