1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one

C18H18ClNO3S — CID 90594832

IUPAC1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H18ClNO3S/c19-15-7-9-16(10-8-15)24(22,23)17-12-20(13-17)18(21)11-6-14-4-2-1-3-5-14/h1-5,7-10,17H,6,11-13H2
InChIKeyATTUMCJIEOUZPV-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.96
Rot. Bonds5

About 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one

1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one (PubChem CID 90594832) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
PubChem CID90594832
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H18ClNO3S/c19-15-7-9-16(10-8-15)24(22,23)17-12-20(13-17)18(21)11-6-14-4-2-1-3-5-14/h1-5,7-10,17H,6,11-13H2
InChIKeyATTUMCJIEOUZPV-UHFFFAOYSA-N
XLogP2.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 90594954
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(3-phenylmethoxyphenyl)propan-1-one
CID 90594935
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(3,5-ditert-butylphenyl)propan-1-one
CID 90594938
3-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]propan-1-one
CID 90593415
2-[3-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90595027
2-[4-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 90595026
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 71806014
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(3-chloro-4-fluorophenyl)propan-1-one
CID 90586669
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
CID 90594958
1-[(3R)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-5-phenylpentane-1,5-dione
CID 97417180
1-(3-benzylazetidin-1-yl)-3-phenylpropan-1-one
CID 47082882

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one (CID 90594832) is 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is ATTUMCJIEOUZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-15-7-9-16(10-8-15)24(22,23)17-12-20(13-17)18(21)11-6-14-4-2-1-3-5-14/h1-5,7-10,17H,6,11-13H2.
What are the key properties of 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one?
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 363.87 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 90594832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).