3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine

C19H21NO2S — CID 166372762

IUPAC3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccccc1-c1ccccc1)N1CC(CC2CC2)C1
InChIInChI=1S/C19H21NO2S/c21-23(22,20-13-16(14-20)12-15-10-11-15)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyORUYDYQBCQWTLP-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.77
Rot. Bonds5

About 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine

3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine (PubChem CID 166372762) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine
PubChem CID166372762
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccccc1-c1ccccc1)N1CC(CC2CC2)C1
InChIInChI=1S/C19H21NO2S/c21-23(22,20-13-16(14-20)12-15-10-11-15)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyORUYDYQBCQWTLP-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine 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

1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 167886953
1-(benzenesulfonyl)-4-(2-phenylphenyl)sulfonyl-1,4-diazepane
CID 166194214
1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984251
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988617
1-ethyl-4-(2-phenylphenyl)sulfonyl-1,4-diazepane
CID 56541578
4-(2-phenylphenyl)sulfonyl-1,4-thiazepane
CID 51116230
(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine
CID 124692060
ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate
CID 55915043
4-[2-[(3R)-3-phenoxypyrrolidin-1-yl]sulfonylphenyl]phenol
CID 171916059
1-(2-phenylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylic acid
CID 167772630
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine?
The IUPAC name of 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine (CID 166372762) is 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine?
The canonical SMILES for 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine is O=S(=O)(c1ccccc1-c1ccccc1)N1CC(CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine?
The InChIKey is ORUYDYQBCQWTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-23(22,20-13-16(14-20)12-15-10-11-15)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2.
What are the key properties of 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine?
3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine has a molecular weight of 327.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-(2-phenylphenyl)sulfonylazetidine is sourced from PubChem (CID 166372762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).