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

C19H19ClF3NO5S2 — CID 90592088

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H19ClF3NO5S2/c1-29-13-2-4-14(5-3-13)30(25,26)15-8-10-24(11-9-15)31(27,28)16-6-7-18(20)17(12-16)19(21,22)23/h2-7,12,15H,8-11H2,1H3
InChIKeyPSZUXWWXJCYSOE-UHFFFAOYSA-N
MW497.94 g/mol
LogP3.99
Rot. Bonds5

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

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 90592088) has the molecular formula C19H19ClF3NO5S2 and a molecular weight of 497.94 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID90592088
Molecular FormulaC19H19ClF3NO5S2
Molecular Weight497.94 g/mol
Exact Mass497.03
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H19ClF3NO5S2/c1-29-13-2-4-14(5-3-13)30(25,26)15-8-10-24(11-9-15)31(27,28)16-6-7-18(20)17(12-16)19(21,22)23/h2-7,12,15H,8-11H2,1H3
InChIKeyPSZUXWWXJCYSOE-UHFFFAOYSA-N
XLogP3.99
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.94
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940
4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90592055
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962514
(3-methoxyphenyl)methyl 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 42983013
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]propan-1-one
CID 90593432
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine (CID 90592088) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is PSZUXWWXJCYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO5S2/c1-29-13-2-4-14(5-3-13)30(25,26)15-8-10-24(11-9-15)31(27,28)16-6-7-18(20)17(12-16)19(21,22)23/h2-7,12,15H,8-11H2,1H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 497.94 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 90592088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).