1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine

C15H20F3NO4S — CID 163314283

IUPAC1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine
SMILESCOc1cc(S(=O)(=O)N2CCC(OC(F)(F)F)CC2)c(C)cc1C
InChIInChI=1S/C15H20F3NO4S/c1-10-8-11(2)14(9-13(10)22-3)24(20,21)19-6-4-12(5-7-19)23-15(16,17)18/h8-9,12H,4-7H2,1-3H3
InChIKeyZELYWIOEUVBXLA-UHFFFAOYSA-N
MW367.39 g/mol
LogP3.00
Rot. Bonds4

About 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine

1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine (PubChem CID 163314283) has the molecular formula C15H20F3NO4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine
PubChem CID163314283
Molecular FormulaC15H20F3NO4S
Molecular Weight367.39 g/mol
Exact Mass367.11
IUPAC Name1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine
SMILESCOc1cc(S(=O)(=O)N2CCC(OC(F)(F)F)CC2)c(C)cc1C
InChIInChI=1S/C15H20F3NO4S/c1-10-8-11(2)14(9-13(10)22-3)24(20,21)19-6-4-12(5-7-19)23-15(16,17)18/h8-9,12H,4-7H2,1-3H3
InChIKeyZELYWIOEUVBXLA-UHFFFAOYSA-N
XLogP3.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
1-(5-Ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
CID 970153
(3R,4R)-1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-3,4-dimethylpyrrolidin-3-ol
CID 72885199
4-Fluoro-4-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 177855312
1-(5-Methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
CID 801476
4-((5-Ethoxy-2,4-dimethylphenyl)sulfonyl)morpholine
CID 850000
2-Ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
CID 2933359
5-methoxy-2,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6471316
1-(5-Methoxy-2,4-dimethylphenyl)sulfonylazepane
CID 6471798

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine?
The IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine (CID 163314283) is 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine?
The canonical SMILES for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine is COc1cc(S(=O)(=O)N2CCC(OC(F)(F)F)CC2)c(C)cc1C.
What is the InChIKey of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine?
The InChIKey is ZELYWIOEUVBXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4S/c1-10-8-11(2)14(9-13(10)22-3)24(20,21)19-6-4-12(5-7-19)23-15(16,17)18/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine?
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine has a molecular weight of 367.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 163314283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).