1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine

C19H23NO2S — CID 166397351

IUPAC1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine
SMILESCc1cc(C)cc(C(C)S(=O)(=O)N2CCC2c2ccccc2)c1
InChIInChI=1S/C19H23NO2S/c1-14-11-15(2)13-18(12-14)16(3)23(21,22)20-10-9-19(20)17-7-5-4-6-8-17/h4-8,11-13,16,19H,9-10H2,1-3H3
InChIKeyOYZYMJOFDRAANR-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.14
Rot. Bonds4

About 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine

1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine (PubChem CID 166397351) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine
PubChem CID166397351
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine
SMILESCc1cc(C)cc(C(C)S(=O)(=O)N2CCC2c2ccccc2)c1
InChIInChI=1S/C19H23NO2S/c1-14-11-15(2)13-18(12-14)16(3)23(21,22)20-10-9-19(20)17-7-5-4-6-8-17/h4-8,11-13,16,19H,9-10H2,1-3H3
InChIKeyOYZYMJOFDRAANR-UHFFFAOYSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine
CID 70612205
4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine
CID 90566974
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
CID 75461129
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine
CID 169211755
2-(4-methyl-2-phenylpiperazin-1-yl)sulfonylpropanoic acid
CID 61454190
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine
CID 82249420
ethyl (2S)-1-[(2R)-2-phenylazetidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 97184210
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
1-methyl-2-phenylazetidine
CID 576373

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine (CID 166397351) is 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine is Cc1cc(C)cc(C(C)S(=O)(=O)N2CCC2c2ccccc2)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine?
The InChIKey is OYZYMJOFDRAANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-11-15(2)13-18(12-14)16(3)23(21,22)20-10-9-19(20)17-7-5-4-6-8-17/h4-8,11-13,16,19H,9-10H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine?
1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine has a molecular weight of 329.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine is sourced from PubChem (CID 166397351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).