[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone

C19H20ClNO3S — CID 90594845

IUPAC[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-2-3-14-4-6-15(7-5-14)19(22)21-12-18(13-21)25(23,24)17-10-8-16(20)9-11-17/h4-11,18H,2-3,12-13H2,1H3
InChIKeyDMNFQCYMPUBAHP-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.59
Rot. Bonds5

About [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone

[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone (PubChem CID 90594845) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone
PubChem CID90594845
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-2-3-14-4-6-15(7-5-14)19(22)21-12-18(13-21)25(23,24)17-10-8-16(20)9-11-17/h4-11,18H,2-3,12-13H2,1H3
InChIKeyDMNFQCYMPUBAHP-UHFFFAOYSA-N
XLogP3.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]benzoate
CID 71809474
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 90594954
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
CID 90594832
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(furan-2-yl)methanone
CID 71809455
[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-(4-propylphenyl)methanone
CID 97427224
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
(2-methylaziridin-1-yl)-(4-propylphenyl)methanone
CID 22282369
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 90587778

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone (CID 90594845) is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone?
The InChIKey is DMNFQCYMPUBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-2-3-14-4-6-15(7-5-14)19(22)21-12-18(13-21)25(23,24)17-10-8-16(20)9-11-17/h4-11,18H,2-3,12-13H2,1H3.
What are the key properties of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone?
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone has a molecular weight of 377.89 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone is sourced from PubChem (CID 90594845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).