1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine

C20H21F3N2O4S — CID 26069597

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
SMILESCOc1ccc(S(=O)(=O)N2CCC(=NOCc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H21F3N2O4S/c1-28-18-5-7-19(8-6-18)30(26,27)25-11-9-17(10-12-25)24-29-14-15-3-2-4-16(13-15)20(21,22)23/h2-8,13H,9-12,14H2,1H3
InChIKeyCIRWSUWMGJDVKG-UHFFFAOYSA-N
MW442.46 g/mol
LogP4.07
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine

1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine (PubChem CID 26069597) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
PubChem CID26069597
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
SMILESCOc1ccc(S(=O)(=O)N2CCC(=NOCc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H21F3N2O4S/c1-28-18-5-7-19(8-6-18)30(26,27)25-11-9-17(10-12-25)24-29-14-15-3-2-4-16(13-15)20(21,22)23/h2-8,13H,9-12,14H2,1H3
InChIKeyCIRWSUWMGJDVKG-UHFFFAOYSA-N
XLogP4.07
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine
CID 6624801
1-[4-(Trifluoromethoxy)benzenesulfonyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-OL
CID 24761517
CID 134787822
CID 134787822
CID 134788607
CID 134788607
CID 134791251
CID 134791251
CID 134791671
CID 134791671
4-Benzyl-1-(4-methoxyphenyl)sulfonylpiperidine
CID 669090
4-[2-(Benzyloxy)ethoxy]-1-(4-methoxybenzenesulfonyl)piperidine
CID 91918369
CID 134789858
CID 134789858
CID 134791227
CID 134791227
4-(2-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 2728125
4-[4-[[3-(Trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine
CID 17469191

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine (CID 26069597) is 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine is COc1ccc(S(=O)(=O)N2CCC(=NOCc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The InChIKey is CIRWSUWMGJDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c1-28-18-5-7-19(8-6-18)30(26,27)25-11-9-17(10-12-25)24-29-14-15-3-2-4-16(13-15)20(21,22)23/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine has a molecular weight of 442.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine is sourced from PubChem (CID 26069597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).