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

C19H20F3NO5S2 — CID 90592055

IUPAC4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H20F3NO5S2/c1-28-15-5-7-16(8-6-15)29(24,25)17-9-11-23(12-10-17)30(26,27)18-4-2-3-14(13-18)19(20,21)22/h2-8,13,17H,9-12H2,1H3
InChIKeyISIORZOBIXFDTL-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.34
Rot. Bonds5

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

4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 90592055) has the molecular formula C19H20F3NO5S2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID90592055
Molecular FormulaC19H20F3NO5S2
Molecular Weight463.50 g/mol
Exact Mass463.07
IUPAC Name4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H20F3NO5S2/c1-28-15-5-7-16(8-6-15)29(24,25)17-9-11-23(12-10-17)30(26,27)18-4-2-3-14(13-18)19(20,21)22/h2-8,13,17H,9-12H2,1H3
InChIKeyISIORZOBIXFDTL-UHFFFAOYSA-N
XLogP3.34
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592088
(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 95110006
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 37479505
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17424565
1-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 17378154
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756188
1-(6-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3836694
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 46556266

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 90592055) is 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is ISIORZOBIXFDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO5S2/c1-28-15-5-7-16(8-6-15)29(24,25)17-9-11-23(12-10-17)30(26,27)18-4-2-3-14(13-18)19(20,21)22/h2-8,13,17H,9-12H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 463.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 90592055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).