(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane

C18H14O3S — CID 101169290

IUPAC(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc2ccccc12
InChIInChI=1S/C18H14O3S/c19-22(20,14-9-2-1-3-10-14)18-17(21-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17-18H/t17-,18-/m0/s1
InChIKeyWVHJXLJMMMQTKI-ROUUACIJSA-N
MW310.37 g/mol
LogP3.71
Rot. Bonds3

About (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane

(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane (PubChem CID 101169290) has the molecular formula C18H14O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane.

Molecular Properties

Compound Name(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane
PubChem CID101169290
Molecular FormulaC18H14O3S
Molecular Weight310.37 g/mol
Exact Mass310.07
IUPAC Name(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc2ccccc12
InChIInChI=1S/C18H14O3S/c19-22(20,14-9-2-1-3-10-14)18-17(21-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17-18H/t17-,18-/m0/s1
InChIKeyWVHJXLJMMMQTKI-ROUUACIJSA-N
XLogP3.71
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-(benzenesulfonyl)-3-tert-butyloxirane
CID 101169297
2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine
CID 15184774
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
(2S,3S)-2-(benzenesulfonyl)-3-(trifluoromethyl)oxirane
CID 97110826
(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane
CID 11131920
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
CID 14532898
(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
CID 71408013
[(E)-2-(benzenesulfonyl)ethenyl]benzene;(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane
CID 160559423
[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10065485
[(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 139037161
2-naphthalen-1-yl-1,3-dioxole
CID 67839712

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane?
The IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane (CID 101169290) is (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane.
What is the SMILES notation for (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane?
The canonical SMILES for (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane is O=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc2ccccc12.
What is the InChIKey of (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane?
The InChIKey is WVHJXLJMMMQTKI-ROUUACIJSA-N. The full InChI is InChI=1S/C18H14O3S/c19-22(20,14-9-2-1-3-10-14)18-17(21-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17-18H/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane?
(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane has a molecular weight of 310.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane is sourced from PubChem (CID 101169290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).