1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone

C16H20ClNO3S2 — CID 71809508

IUPAC1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone
SMILESO=C(CSC1CCCC1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClNO3S2/c17-12-5-7-14(8-6-12)23(20,21)15-9-18(10-15)16(19)11-22-13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2
InChIKeyPMQACXHOXAOPGO-UHFFFAOYSA-N
MW373.93 g/mol
LogP3.00
Rot. Bonds5

About 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone

1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone (PubChem CID 71809508) has the molecular formula C16H20ClNO3S2 and a molecular weight of 373.93 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone
PubChem CID71809508
Molecular FormulaC16H20ClNO3S2
Molecular Weight373.93 g/mol
Exact Mass373.06
IUPAC Name1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone
SMILESO=C(CSC1CCCC1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClNO3S2/c17-12-5-7-14(8-6-12)23(20,21)15-9-18(10-15)16(19)11-22-13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2
InChIKeyPMQACXHOXAOPGO-UHFFFAOYSA-N
XLogP3.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
CID 90594832
2-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90593100
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 90594954
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone
CID 90593744
N-(2-chloroethyl)-3-(4-chlorophenyl)sulfonylazetidine-1-carboxamide
CID 90595114
2-[3-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90595027
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(3,5-ditert-butylphenyl)propan-1-one
CID 90594938
2-(benzimidazol-1-yl)-1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809506
2-[4-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 90595026
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone (CID 71809508) is 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone is O=C(CSC1CCCC1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone?
The InChIKey is PMQACXHOXAOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3S2/c17-12-5-7-14(8-6-12)23(20,21)15-9-18(10-15)16(19)11-22-13-3-1-2-4-13/h5-8,13,15H,1-4,9-11H2.
What are the key properties of 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone?
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone has a molecular weight of 373.93 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone is sourced from PubChem (CID 71809508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).