5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol

C17H17FO4S — CID 175147357

IUPAC5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol
SMILESO=S(=O)(c1ccccc1)C1COC(O)C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H17FO4S/c18-13-8-6-12(7-9-13)16-10-15(11-22-17(16)19)23(20,21)14-4-2-1-3-5-14/h1-9,15-17,19H,10-11H2
InChIKeyGXSPXUFIKCHSBR-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.49
Rot. Bonds3

About 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol

5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol (PubChem CID 175147357) has the molecular formula C17H17FO4S and a molecular weight of 336.38 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol
PubChem CID175147357
Molecular FormulaC17H17FO4S
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC Name5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol
SMILESO=S(=O)(c1ccccc1)C1COC(O)C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H17FO4S/c18-13-8-6-12(7-9-13)16-10-15(11-22-17(16)19)23(20,21)14-4-2-1-3-5-14/h1-9,15-17,19H,10-11H2
InChIKeyGXSPXUFIKCHSBR-UHFFFAOYSA-N
XLogP2.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol?
The IUPAC name of 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol (CID 175147357) is 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol.
What is the SMILES notation for 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol?
The canonical SMILES for 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol is O=S(=O)(c1ccccc1)C1COC(O)C(c2ccc(F)cc2)C1.
What is the InChIKey of 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol?
The InChIKey is GXSPXUFIKCHSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4S/c18-13-8-6-12(7-9-13)16-10-15(11-22-17(16)19)23(20,21)14-4-2-1-3-5-14/h1-9,15-17,19H,10-11H2.
What are the key properties of 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol?
5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol has a molecular weight of 336.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-(4-fluorophenyl)oxan-2-ol is sourced from PubChem (CID 175147357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).