2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine

C23H23NO2S — CID 70612205

IUPAC2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine
SMILESCc1cccc(S(=O)(=O)N2CCC2C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23NO2S/c1-18-9-8-14-21(17-18)27(25,26)24-16-15-22(24)23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22-23H,15-16H2,1H3
InChIKeyKKIHDKCXHHQJRP-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.59
Rot. Bonds5

About 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine

2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine (PubChem CID 70612205) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine
PubChem CID70612205
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine
SMILESCc1cccc(S(=O)(=O)N2CCC2C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23NO2S/c1-18-9-8-14-21(17-18)27(25,26)24-16-15-22(24)23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22-23H,15-16H2,1H3
InChIKeyKKIHDKCXHHQJRP-UHFFFAOYSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785088
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
1-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976185
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine?
The IUPAC name of 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine (CID 70612205) is 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine.
What is the SMILES notation for 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine?
The canonical SMILES for 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine is Cc1cccc(S(=O)(=O)N2CCC2C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine?
The InChIKey is KKIHDKCXHHQJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-18-9-8-14-21(17-18)27(25,26)24-16-15-22(24)23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22-23H,15-16H2,1H3.
What are the key properties of 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine?
2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine has a molecular weight of 377.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-(3-methylphenyl)sulfonylazetidine is sourced from PubChem (CID 70612205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).