1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol

C22H23NO2S — CID 25041032

IUPAC1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol
SMILESCN=[S@](=O)(CC(O)(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO2S/c1-23-26(25,21-15-9-4-10-16-21)18-22(24,20-13-7-3-8-14-20)17-19-11-5-2-6-12-19/h2-16,24H,17-18H2,1H3/t22?,26-/m0/s1
InChIKeyCQQCVHCHPYNYFT-XGCAABAXSA-N
MW365.50 g/mol
LogP4.27
Rot. Bonds6

About 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol

1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol (PubChem CID 25041032) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol.

Molecular Properties

Compound Name1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol
PubChem CID25041032
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol
SMILESCN=[S@](=O)(CC(O)(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO2S/c1-23-26(25,21-15-9-4-10-16-21)18-22(24,20-13-7-3-8-14-20)17-19-11-5-2-6-12-19/h2-16,24H,17-18H2,1H3/t22?,26-/m0/s1
InChIKeyCQQCVHCHPYNYFT-XGCAABAXSA-N
XLogP4.27
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol 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

2-methyl-1-(N-methyl-S-phenylsulfonimidoyl)propan-2-ol
CID 25037771
fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 14117219
N-[(2S)-2-hydroxy-2,3-diphenylpropyl]acetamide
CID 95987019
1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol
CID 14580196
1,2-diphenylheptan-2-ol
CID 139785734
methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane
CID 10493393
[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10823803
[(E)-4,4-dimethylpent-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 101351722
methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
2-hydroxy-1,3-diphenylpropane-2-sulfonic acid
CID 103574168
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474

Frequently Asked Questions

What is the IUPAC name of 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol?
The IUPAC name of 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol (CID 25041032) is 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol.
What is the SMILES notation for 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol?
The canonical SMILES for 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol is CN=[S@](=O)(CC(O)(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol?
The InChIKey is CQQCVHCHPYNYFT-XGCAABAXSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-23-26(25,21-15-9-4-10-16-21)18-22(24,20-13-7-3-8-14-20)17-19-11-5-2-6-12-19/h2-16,24H,17-18H2,1H3/t22?,26-/m0/s1.
What are the key properties of 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol?
1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol has a molecular weight of 365.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methyl-S-phenylsulfonimidoyl)-2,3-diphenylpropan-2-ol is sourced from PubChem (CID 25041032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).