(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol

C22H21NO3S — CID 102373671

IUPAC(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
SMILESCc1ccc(S(=O)(=O)N2[C@H]([C@H](O)c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-16-12-14-19(15-13-16)27(25,26)23-20(17-8-4-2-5-9-17)21(23)22(24)18-10-6-3-7-11-18/h2-15,20-22,24H,1H3/t20-,21-,22+,23?/m0/s1
InChIKeySFYFPQQRYLYMBL-JYEDNEFCSA-N
MW379.48 g/mol
LogP3.84
Rot. Bonds5

About (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol

(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol (PubChem CID 102373671) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
PubChem CID102373671
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
SMILESCc1ccc(S(=O)(=O)N2[C@H]([C@H](O)c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-16-12-14-19(15-13-16)27(25,26)23-20(17-8-4-2-5-9-17)21(23)22(24)18-10-6-3-7-11-18/h2-15,20-22,24H,1H3/t20-,21-,22+,23?/m0/s1
InChIKeySFYFPQQRYLYMBL-JYEDNEFCSA-N
XLogP3.84
TPSA57.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol 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,3R,4S)-3-bromo-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-ylazetidine
CID 101070988
ethyl (2R,3R)-3-[(R)-hydroxy(phenyl)methyl]-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 11036160
(R)-phenyl-[(2S,3S)-3-phenyl-1-(2-trimethylsilylethylsulfonyl)aziridin-2-yl]methanol
CID 102373675
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970
(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
(2S,4R)-3-[(1S)-1-(4-methylphenyl)propyl]-1-(4-methylphenyl)sulfonyl-2,4-diphenylazetidine
CID 46210687
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(2S,3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carboxamide
CID 15326329
2,2-dimethyl-1-[(2S,3R)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]propan-1-one
CID 10066920

Frequently Asked Questions

What is the IUPAC name of (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol (CID 102373671) is (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol is Cc1ccc(S(=O)(=O)N2[C@H]([C@H](O)c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol?
The InChIKey is SFYFPQQRYLYMBL-JYEDNEFCSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-16-12-14-19(15-13-16)27(25,26)23-20(17-8-4-2-5-9-17)21(23)22(24)18-10-6-3-7-11-18/h2-15,20-22,24H,1H3/t20-,21-,22+,23?/m0/s1.
What are the key properties of (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol?
(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol has a molecular weight of 379.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol is sourced from PubChem (CID 102373671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).