(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine

C22H21NO3S — CID 11003382

IUPAC(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
SMILESCc1ccc(N2OC[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-12-14-19(15-13-17)23-22(18-8-4-2-5-9-18)21(16-26-23)27(24,25)20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3/t21-,22+/m1/s1
InChIKeyZKCFLUALVJQMMZ-YADHBBJMSA-N
MW379.48 g/mol
LogP4.33
Rot. Bonds4

About (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine

(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine (PubChem CID 11003382) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
PubChem CID11003382
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
SMILESCc1ccc(N2OC[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-12-14-19(15-13-17)23-22(18-8-4-2-5-9-18)21(16-26-23)27(24,25)20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3/t21-,22+/m1/s1
InChIKeyZKCFLUALVJQMMZ-YADHBBJMSA-N
XLogP4.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine 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

(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299
(3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 40520713
(3S,4S,5R)-5-(benzenesulfonyl)-2-(4-methylphenyl)-4-nitro-3-phenyl-1,2-oxazolidine
CID 10764793
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one
CID 101201943
(1R,8S)-8-(benzenesulfonyl)-2-(4-methylphenyl)sulfonyl-2-azabicyclo[4.2.0]oct-5-ene
CID 171360008
3-(benzenesulfonyl)-4-bromooxolane
CID 12543461
(2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane
CID 177499409
(1S,10bS)-1-(benzenesulfonyl)-5-[(E)-2-phenylethenyl]-2,10b-dihydro-1H-[1,2]oxazolo[2,3-c]quinazoline
CID 11711386
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
(4aR,6R,7S,8S,8aR)-6-methoxy-7,8-bis-(4-methylphenyl)sulfonyl-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 101253671

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine (CID 11003382) is (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine is Cc1ccc(N2OC[C@@H](S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine?
The InChIKey is ZKCFLUALVJQMMZ-YADHBBJMSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-12-14-19(15-13-17)23-22(18-8-4-2-5-9-18)21(16-26-23)27(24,25)20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3/t21-,22+/m1/s1.
What are the key properties of (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine?
(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine has a molecular weight of 379.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 11003382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).