(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine

C22H21NO3S — CID 124813963

IUPAC(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
SMILESCN1O[C@H](c2ccccc2)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H21NO3S/c1-23-20(17-11-5-2-6-12-17)22(21(26-23)18-13-7-3-8-14-18)27(24,25)19-15-9-4-10-16-19/h2-16,20-22H,1H3/t20-,21+,22-/m0/s1
InChIKeyWNQDAPHKILPPPU-BDTNDASRSA-N
MW379.48 g/mol
LogP4.19
Rot. Bonds4

About (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine

(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine (PubChem CID 124813963) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
PubChem CID124813963
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
SMILESCN1O[C@H](c2ccccc2)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H21NO3S/c1-23-20(17-11-5-2-6-12-17)22(21(26-23)18-13-7-3-8-14-18)27(24,25)19-15-9-4-10-16-19/h2-16,20-22H,1H3/t20-,21+,22-/m0/s1
InChIKeyWNQDAPHKILPPPU-BDTNDASRSA-N
XLogP4.19
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 ≤ 54.19
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
(3R,4R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidine-4-carbonitrile
CID 101455931
(4R,5S,6S)-5-(benzenesulfonyl)-4-methyl-6-phenyloxan-2-one
CID 102593365
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one
CID 10592538
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
(3S,4S,5R)-5-(benzenesulfonyl)-2-(4-methylphenyl)-4-nitro-3-phenyl-1,2-oxazolidine
CID 10764793
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
CID 11003382

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine?
The IUPAC name of (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine (CID 124813963) is (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine.
What is the SMILES notation for (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine?
The canonical SMILES for (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine is CN1O[C@H](c2ccccc2)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine?
The InChIKey is WNQDAPHKILPPPU-BDTNDASRSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-23-20(17-11-5-2-6-12-17)22(21(26-23)18-13-7-3-8-14-18)27(24,25)19-15-9-4-10-16-19/h2-16,20-22H,1H3/t20-,21+,22-/m0/s1.
What are the key properties of (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine?
(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine has a molecular weight of 379.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine is sourced from PubChem (CID 124813963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).