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

C22H21NO3S — CID 40520713

IUPAC(3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine
SMILESO=S(=O)(c1ccccc1)[C@@H]1CON(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H21NO3S/c24-27(25,20-14-8-3-9-15-20)21-17-26-23(16-18-10-4-1-5-11-18)22(21)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22+/m1/s1
InChIKeyZQNDEOFONNYWQH-YADHBBJMSA-N
MW379.48 g/mol
LogP4.02
Rot. Bonds5

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

(3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine (PubChem CID 40520713) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine
PubChem CID40520713
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine
SMILESO=S(=O)(c1ccccc1)[C@@H]1CON(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H21NO3S/c24-27(25,20-14-8-3-9-15-20)21-17-26-23(16-18-10-4-1-5-11-18)22(21)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22+/m1/s1
InChIKeyZQNDEOFONNYWQH-YADHBBJMSA-N
XLogP4.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299
(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
CID 11003382
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
(3aS,6R,6aR)-1-benzyl-6-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole
CID 10779068
N-[2-[(3R,4R)-4-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1,2-oxazolidin-2-yl]ethyl]-4-chlorobenzenesulfonamide
CID 101116906
1-[(3S,4S)-4-(benzenesulfonyl)-1-benzylpyrrolidin-3-yl]ethanone
CID 135050189
(3S,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-4-phenylazetidin-2-one
CID 102439574
(1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 67788452
methyl (3R,5R,7S,7aR)-7-(benzenesulfonyl)-1-benzyl-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5-carboxylate
CID 101495169
1-benzyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazole-5-carboxylic acid
CID 146458152
3-(benzenesulfonyl)-4-bromooxolane
CID 12543461

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine (CID 40520713) is (3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine is O=S(=O)(c1ccccc1)[C@@H]1CON(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine?
The InChIKey is ZQNDEOFONNYWQH-YADHBBJMSA-N. The full InChI is InChI=1S/C22H21NO3S/c24-27(25,20-14-8-3-9-15-20)21-17-26-23(16-18-10-4-1-5-11-18)22(21)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22+/m1/s1.
What are the key properties of (3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine?
(3S,4S)-4-(benzenesulfonyl)-2-benzyl-3-phenyl-1,2-oxazolidine has a molecular weight of 379.48 g/mol, XLogP of 4.02, 5 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-benzyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 40520713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).