4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine

C18H22ClF3N2O2S — CID 154022400

IUPAC4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine
SMILESO=S(=O)(C1CN(C2(C(F)(F)F)CC2)C1)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClF3N2O2S/c19-15-3-1-13(2-4-15)14-5-9-24(10-6-14)27(25,26)16-11-23(12-16)17(7-8-17)18(20,21)22/h1-4,14,16H,5-12H2
InChIKeyCRGSBLNOZFZOJS-UHFFFAOYSA-N
MW422.90 g/mol
LogP3.63
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine

4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine (PubChem CID 154022400) has the molecular formula C18H22ClF3N2O2S and a molecular weight of 422.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine
PubChem CID154022400
Molecular FormulaC18H22ClF3N2O2S
Molecular Weight422.90 g/mol
Exact Mass422.10
IUPAC Name4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine
SMILESO=S(=O)(C1CN(C2(C(F)(F)F)CC2)C1)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClF3N2O2S/c19-15-3-1-13(2-4-15)14-5-9-24(10-6-14)27(25,26)16-11-23(12-16)17(7-8-17)18(20,21)22/h1-4,14,16H,5-12H2
InChIKeyCRGSBLNOZFZOJS-UHFFFAOYSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine with MolForge

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Related Compounds

US11414402, Example 31
CID 137352257
US11414402, Example 30
CID 137352258
US11414402, Example 32
CID 137352602
3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
CID 146373143
N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
CID 153452674
1-[3-[4-(4-Chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone
CID 158409478
N-[2-(4-chlorophenyl)ethyl]-1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-methylmethanesulfonamide
CID 132391433
({rac-(1R,5S,6r)-3-[(4-chloro-2-fluorobenzyl)sulfonyl]-3-azabicyclo[3.1.0]hex-6-yl}methyl)dimethylamine
CID 132416002
1-{1-[(4-Chloro-2-fluorobenzyl)sulfonyl]azetidin-3-yl}-2-methylpiperidine
CID 132426024
1-[2-(3-Chlorophenyl)ethylsulfonyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine
CID 167851218
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-(1-ethylpiperidin-4-yl)ethenesulfonamide
CID 56280579
1-[(4-Chlorophenyl)methylsulfonyl]-4-(cyclopropylmethyl)piperazine
CID 110708721

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine?
The IUPAC name of 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine (CID 154022400) is 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine?
The canonical SMILES for 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine is O=S(=O)(C1CN(C2(C(F)(F)F)CC2)C1)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine?
The InChIKey is CRGSBLNOZFZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N2O2S/c19-15-3-1-13(2-4-15)14-5-9-24(10-6-14)27(25,26)16-11-23(12-16)17(7-8-17)18(20,21)22/h1-4,14,16H,5-12H2.
What are the key properties of 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine?
4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine has a molecular weight of 422.90 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine is sourced from PubChem (CID 154022400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).