[2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone

C18H18ClNO3S — CID 126812922

IUPAC[2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC1c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3S/c1-12-3-8-15(24(2,22)23)11-16(12)18(21)20-10-9-17(20)13-4-6-14(19)7-5-13/h3-8,11,17H,9-10H2,1-2H3
InChIKeyACFAXAMCBMXQRF-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.64
Rot. Bonds3

About [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone

[2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone (PubChem CID 126812922) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
PubChem CID126812922
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC1c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3S/c1-12-3-8-15(24(2,22)23)11-16(12)18(21)20-10-9-17(20)13-4-6-14(19)7-5-13/h3-8,11,17H,9-10H2,1-2H3
InChIKeyACFAXAMCBMXQRF-UHFFFAOYSA-N
XLogP3.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-5-methylsulfonylphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78779298
(3-hydroxypyrrolidin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 62918281
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 114679861
3-[(2S)-1-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]propanoic acid
CID 125118075
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 126837848
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 51270047
(3S)-2-(2-methyl-5-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94868099
(2-methyl-5-methylsulfonylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124591259
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115
(2-methyl-5-methylsulfonylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95325315

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The IUPAC name of [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone (CID 126812922) is [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone is Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC1c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The InChIKey is ACFAXAMCBMXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-12-3-8-15(24(2,22)23)11-16(12)18(21)20-10-9-17(20)13-4-6-14(19)7-5-13/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
[2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone has a molecular weight of 363.87 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)azetidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone is sourced from PubChem (CID 126812922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).