(5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane

C17H17FO4S — CID 15459716

IUPAC(5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane
SMILESO=S(=O)(c1ccccc1)C1CC[C@@H](COc2ccc(F)cc2)O1
InChIInChI=1S/C17H17FO4S/c18-13-6-8-14(9-7-13)21-12-15-10-11-17(22-15)23(19,20)16-4-2-1-3-5-16/h1-9,15,17H,10-12H2/t15-,17?/m0/s1
InChIKeyAJNTWUVAQQFTOV-MYJWUSKBSA-N
MW336.38 g/mol
LogP3.18
Rot. Bonds5

About (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane

(5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane (PubChem CID 15459716) has the molecular formula C17H17FO4S and a molecular weight of 336.38 g/mol. Its IUPAC name is (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane.

Molecular Properties

Compound Name(5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane
PubChem CID15459716
Molecular FormulaC17H17FO4S
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC Name(5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane
SMILESO=S(=O)(c1ccccc1)C1CC[C@@H](COc2ccc(F)cc2)O1
InChIInChI=1S/C17H17FO4S/c18-13-6-8-14(9-7-13)21-12-15-10-11-17(22-15)23(19,20)16-4-2-1-3-5-16/h1-9,15,17H,10-12H2/t15-,17?/m0/s1
InChIKeyAJNTWUVAQQFTOV-MYJWUSKBSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane?
The IUPAC name of (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane (CID 15459716) is (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane.
What is the SMILES notation for (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane?
The canonical SMILES for (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane is O=S(=O)(c1ccccc1)C1CC[C@@H](COc2ccc(F)cc2)O1.
What is the InChIKey of (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane?
The InChIKey is AJNTWUVAQQFTOV-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H17FO4S/c18-13-6-8-14(9-7-13)21-12-15-10-11-17(22-15)23(19,20)16-4-2-1-3-5-16/h1-9,15,17H,10-12H2/t15-,17?/m0/s1.
What are the key properties of (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane?
(5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane has a molecular weight of 336.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(benzenesulfonyl)-5-[(4-fluorophenoxy)methyl]oxolane is sourced from PubChem (CID 15459716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).