1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

C18H16ClF4NO4S2 — CID 90589940

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H16ClF4NO4S2/c19-17-6-5-15(11-16(17)18(21,22)23)30(27,28)24-9-7-14(8-10-24)29(25,26)13-3-1-12(20)2-4-13/h1-6,11,14H,7-10H2
InChIKeyBISZKSKZSKLSQO-UHFFFAOYSA-N
MW485.91 g/mol
LogP4.12
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 90589940) has the molecular formula C18H16ClF4NO4S2 and a molecular weight of 485.91 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
PubChem CID90589940
Molecular FormulaC18H16ClF4NO4S2
Molecular Weight485.91 g/mol
Exact Mass485.01
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H16ClF4NO4S2/c19-17-6-5-15(11-16(17)18(21,22)23)30(27,28)24-9-7-14(8-10-24)29(25,26)13-3-1-12(20)2-4-13/h1-6,11,14H,7-10H2
InChIKeyBISZKSKZSKLSQO-UHFFFAOYSA-N
XLogP4.12
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.91
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592088
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2532194
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962514
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (CID 90589940) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is BISZKSKZSKLSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4NO4S2/c19-17-6-5-15(11-16(17)18(21,22)23)30(27,28)24-9-7-14(8-10-24)29(25,26)13-3-1-12(20)2-4-13/h1-6,11,14H,7-10H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 485.91 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 90589940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).