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

C19H23NO3S — CID 102045763

IUPAC(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine
SMILESCCCC[C@H]1CO[C@@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-2-3-12-17-15-23-19(16-10-6-4-7-11-16)20(17)24(21,22)18-13-8-5-9-14-18/h4-11,13-14,17,19H,2-3,12,15H2,1H3/t17-,19-/m0/s1
InChIKeyTYDFGIMDNGZMSR-HKUYNNGSSA-N
MW345.46 g/mol
LogP3.97
Rot. Bonds6

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

(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine (PubChem CID 102045763) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine
PubChem CID102045763
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine
SMILESCCCC[C@H]1CO[C@@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-2-3-12-17-15-23-19(16-10-6-4-7-11-16)20(17)24(21,22)18-13-8-5-9-14-18/h4-11,13-14,17,19H,2-3,12,15H2,1H3/t17-,19-/m0/s1
InChIKeyTYDFGIMDNGZMSR-HKUYNNGSSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane
CID 73228744
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
(2R,3S,5R)-5-butyl-3-iodo-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 101112181
4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine
CID 45094832
tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11467439
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
(2R,3R)-1-(benzenesulfonyl)-2,3-diethylaziridine
CID 165347301
(4-butyl-2-phenyl-1,3-dioxan-5-yl) methanesulfonate
CID 134389517
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
(4S,6S)-1-hydroxy-6-octadecyl-4-phenylpiperidin-2-one
CID 67827026
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11237647

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine?
The IUPAC name of (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine (CID 102045763) is (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine is CCCC[C@H]1CO[C@@H](c2ccccc2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine?
The InChIKey is TYDFGIMDNGZMSR-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-3-12-17-15-23-19(16-10-6-4-7-11-16)20(17)24(21,22)18-13-8-5-9-14-18/h4-11,13-14,17,19H,2-3,12,15H2,1H3/t17-,19-/m0/s1.
What are the key properties of (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine?
(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine has a molecular weight of 345.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 102045763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).