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

C19H17F6NO4S — CID 24761517

IUPAC1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F6NO4S/c20-18(21,22)14-3-1-2-13(12-14)17(27)8-10-26(11-9-17)31(28,29)16-6-4-15(5-7-16)30-19(23,24)25/h1-7,12,27H,8-11H2
InChIKeyRBZMPHVUMXYNPO-UHFFFAOYSA-N
MW469.40 g/mol
LogP4.28
Rot. Bonds4

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

1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 24761517) has the molecular formula C19H17F6NO4S and a molecular weight of 469.40 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID24761517
Molecular FormulaC19H17F6NO4S
Molecular Weight469.40 g/mol
Exact Mass469.08
IUPAC Name1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F6NO4S/c20-18(21,22)14-3-1-2-13(12-14)17(27)8-10-26(11-9-17)31(28,29)16-6-4-15(5-7-16)30-19(23,24)25/h1-7,12,27H,8-11H2
InChIKeyRBZMPHVUMXYNPO-UHFFFAOYSA-N
XLogP4.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxyphenylsulfonyl)-4-phenylazepan-4-ol
CID 25192455
4-(4-Chloro-phenyl)-1-(4-methoxy-benzenesulfonyl)-piperidin-4-ol
CID 654602
4-Phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine-4-carbonitrile
CID 3857330
3-Phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine
CID 6624801
N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 44453165
4-[3-[4-(Bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]benzenesulfonamide hydrochloride
CID 23036324
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 56764272
4-Benzyl-1-(4-methoxyphenyl)sulfonylpiperidine
CID 669090
1-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-4-(2-methoxyphenyl)piperidine
CID 2728117
4-(2-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 2728125
1-(2,4-Difluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine
CID 2728126
4-(2-Methoxyphenyl)-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 6735069

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 24761517) is 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is RBZMPHVUMXYNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO4S/c20-18(21,22)14-3-1-2-13(12-14)17(27)8-10-26(11-9-17)31(28,29)16-6-4-15(5-7-16)30-19(23,24)25/h1-7,12,27H,8-11H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 469.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 24761517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).