3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine

C21H19NO3S — CID 102469430

IUPAC3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine
SMILESO=S(=O)(c1ccccc1)N1C(c2ccccc2)COC1c1ccccc1
InChIInChI=1S/C21H19NO3S/c23-26(24,19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-25-21(22)18-12-6-2-7-13-18/h1-15,20-21H,16H2
InChIKeyRVRUIPBFEJXYEC-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.15
Rot. Bonds4

About 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine

3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine (PubChem CID 102469430) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine
PubChem CID102469430
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine
SMILESO=S(=O)(c1ccccc1)N1C(c2ccccc2)COC1c1ccccc1
InChIInChI=1S/C21H19NO3S/c23-26(24,19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-25-21(22)18-12-6-2-7-13-18/h1-15,20-21H,16H2
InChIKeyRVRUIPBFEJXYEC-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-bromo-N-(1-phenylmethoxybut-3-en-2-yl)benzenesulfonamide
CID 16746519
2-benzyl-4-methylidene-3-(phenylmethoxymethyl)-3H-1lambda6,2-benzothiazine 1,1-dioxide
CID 16746524
benzyl 2-[(2S,4S)-4-benzyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]acetate
CID 53384073
4-((2-Fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895234
(6R,7S)-5-benzyl-6-methyl-7-phenyl-1,4,5-oxathiazepane 4,4-dioxide
CID 25011628
(5R)-4-benzyl-5-(phenylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 49865930
(5S)-4-benzyl-5-(phenylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 49865931
(3S)-2-[(3-methylphenyl)methyl]-3-(phenylmethoxymethyl)-3H-1,2-thiazole 1,1-dioxide
CID 51360513
Benzyl benzyl(phenylsulfonyl)carbamate
CID 245834
(2R,4S)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-4-(trifluoromethyl)-1,3-oxazolidine
CID 101546851
(2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine
CID 134843368
(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
CID 134954820

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine (CID 102469430) is 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine is O=S(=O)(c1ccccc1)N1C(c2ccccc2)COC1c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine?
The InChIKey is RVRUIPBFEJXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c23-26(24,19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-25-21(22)18-12-6-2-7-13-18/h1-15,20-21H,16H2.
What are the key properties of 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine?
3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine has a molecular weight of 365.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine is sourced from PubChem (CID 102469430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).