1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone

C20H24ClF3N2O3S — CID 158409478

IUPAC1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone
SMILESO=C(CC1(C(F)(F)F)CC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C20H24ClF3N2O3S/c21-16-3-1-14(2-4-16)15-5-9-26(10-6-15)30(28,29)17-12-25(13-17)18(27)11-19(7-8-19)20(22,23)24/h1-4,15,17H,5-13H2
InChIKeyGZCRSFFZKVOARO-UHFFFAOYSA-N
MW464.94 g/mol
LogP3.79
Rot. Bonds5

About 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone

1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone (PubChem CID 158409478) has the molecular formula C20H24ClF3N2O3S and a molecular weight of 464.94 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone
PubChem CID158409478
Molecular FormulaC20H24ClF3N2O3S
Molecular Weight464.94 g/mol
Exact Mass464.11
IUPAC Name1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone
SMILESO=C(CC1(C(F)(F)F)CC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C20H24ClF3N2O3S/c21-16-3-1-14(2-4-16)15-5-9-26(10-6-15)30(28,29)17-12-25(13-17)18(27)11-19(7-8-19)20(22,23)24/h1-4,15,17H,5-13H2
InChIKeyGZCRSFFZKVOARO-UHFFFAOYSA-N
XLogP3.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.94
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-(4-Chlorophenyl)-1-[1-[1-(trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidine
CID 154022400
1-[3-[4-(4-Chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 157457723
4-[1-[1-[2-[1-(Trifluoromethyl)cyclopropyl]acetyl]azetidin-3-yl]sulfonylpiperidin-4-yl]benzonitrile
CID 161203435
(5S)-5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-5-[2-[3-(1-methylsulfonylpiperidin-4-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 9871522
1-(4-chloro-2-fluorophenyl)-N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 129617868
1-(4-chloro-2-fluorophenyl)-N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 129617871
1-(4-chloro-2-fluorophenyl)-N-{[1-(cyclopropylcarbonyl)piperidin-3-yl]methyl}methanesulfonamide
CID 131925013
3-[(4-Chloro-2-fluorobenzyl)sulfonyl]-9-methyl-3,9-diazaspiro[5.6]dodecan-10-one
CID 132413209
1-[(4-Chloro-2-fluorobenzyl)sulfonyl]-4-(cyclobutylcarbonyl)piperazine
CID 132426037
[4-[(4-Chlorophenyl)methyl]-4-fluoropiperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone
CID 137835165

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone (CID 158409478) is 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone is O=C(CC1(C(F)(F)F)CC1)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone?
The InChIKey is GZCRSFFZKVOARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF3N2O3S/c21-16-3-1-14(2-4-16)15-5-9-26(10-6-15)30(28,29)17-12-25(13-17)18(27)11-19(7-8-19)20(22,23)24/h1-4,15,17H,5-13H2.
What are the key properties of 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone?
1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone has a molecular weight of 464.94 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone is sourced from PubChem (CID 158409478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).