(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane

C17H18O3S — CID 102080205

IUPAC(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane
SMILESO=S(=O)(c1ccccc1)[C@@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C17H18O3S/c18-21(19,15-10-5-2-6-11-15)16-12-7-13-20-17(16)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m1/s1
InChIKeyICRZABQJFZLKLC-SJORKVTESA-N
MW302.39 g/mol
LogP3.38
Rot. Bonds3

About (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane

(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane (PubChem CID 102080205) has the molecular formula C17H18O3S and a molecular weight of 302.39 g/mol. Its IUPAC name is (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane.

Molecular Properties

Compound Name(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane
PubChem CID102080205
Molecular FormulaC17H18O3S
Molecular Weight302.39 g/mol
Exact Mass302.10
IUPAC Name(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane
SMILESO=S(=O)(c1ccccc1)[C@@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C17H18O3S/c18-21(19,15-10-5-2-6-11-15)16-12-7-13-20-17(16)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m1/s1
InChIKeyICRZABQJFZLKLC-SJORKVTESA-N
XLogP3.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)oxolane
CID 10998330
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
(2S,3R)-3-fluoro-2-phenyloxane
CID 102315049
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
2-(benzenesulfonyl)cyclohexane-1-carbonitrile
CID 64690352
[2-(chloromethyl)cyclohexyl]sulfonylbenzene
CID 67997252
[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
CID 102011158
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane?
The IUPAC name of (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane (CID 102080205) is (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane.
What is the SMILES notation for (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane?
The canonical SMILES for (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane is O=S(=O)(c1ccccc1)[C@@H]1CCCO[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane?
The InChIKey is ICRZABQJFZLKLC-SJORKVTESA-N. The full InChI is InChI=1S/C17H18O3S/c18-21(19,15-10-5-2-6-11-15)16-12-7-13-20-17(16)14-8-3-1-4-9-14/h1-6,8-11,16-17H,7,12-13H2/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane?
(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane has a molecular weight of 302.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(benzenesulfonyl)-2-phenyloxane is sourced from PubChem (CID 102080205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).