(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane

C20H16O4S — CID 11131920

IUPAC(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16O4S/c21-25(22,18-12-5-2-6-13-18)20-19(24-20)15-8-7-11-17(14-15)23-16-9-3-1-4-10-16/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyJOUQJJFMQSWEIF-PMACEKPBSA-N
MW352.41 g/mol
LogP4.35
Rot. Bonds5

About (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane

(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane (PubChem CID 11131920) has the molecular formula C20H16O4S and a molecular weight of 352.41 g/mol. Its IUPAC name is (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane.

Molecular Properties

Compound Name(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane
PubChem CID11131920
Molecular FormulaC20H16O4S
Molecular Weight352.41 g/mol
Exact Mass352.08
IUPAC Name(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16O4S/c21-25(22,18-12-5-2-6-13-18)20-19(24-20)15-8-7-11-17(14-15)23-16-9-3-1-4-10-16/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyJOUQJJFMQSWEIF-PMACEKPBSA-N
XLogP4.35
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenoxyphenyl)sulfonyl-3-propyloxirane
CID 11515236
[(E)-2-(benzenesulfonyl)ethenyl]benzene;(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane
CID 160559423
(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane
CID 101169290
(3-phenoxyphenyl) sulfate
CID 59815390
1-hydroxy-4-(3-phenoxyphenyl)sulfonylpiperidine
CID 67581124
iron;phenoxybenzene
CID 174434720
4-[3-(benzenesulfonyl)phenoxy]aniline
CID 175222333
trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 67526537
3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one
CID 10754217
[(2S,3R)-3-(3-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 102325705
(2R)-2-(3-phenoxyphenyl)azetidine
CID 171197153
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane?
The IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane (CID 11131920) is (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane.
What is the SMILES notation for (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane?
The canonical SMILES for (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane is O=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane?
The InChIKey is JOUQJJFMQSWEIF-PMACEKPBSA-N. The full InChI is InChI=1S/C20H16O4S/c21-25(22,18-12-5-2-6-13-18)20-19(24-20)15-8-7-11-17(14-15)23-16-9-3-1-4-10-16/h1-14,19-20H/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane?
(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane has a molecular weight of 352.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane is sourced from PubChem (CID 11131920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).