9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane

C14H17FO3S2 — CID 79923054

IUPAC9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H17FO3S2/c15-12-3-1-2-4-13(12)20(16,17)11-5-7-18-14(9-11)6-8-19-10-14/h1-4,11H,5-10H2
InChIKeyTXNPQFRRBHTHFS-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.65
Rot. Bonds2

About 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane

9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane (PubChem CID 79923054) has the molecular formula C14H17FO3S2 and a molecular weight of 316.42 g/mol. Its IUPAC name is 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane
PubChem CID79923054
Molecular FormulaC14H17FO3S2
Molecular Weight316.42 g/mol
Exact Mass316.06
IUPAC Name9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H17FO3S2/c15-12-3-1-2-4-13(12)20(16,17)11-5-7-18-14(9-11)6-8-19-10-14/h1-4,11H,5-10H2
InChIKeyTXNPQFRRBHTHFS-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane?
The IUPAC name of 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane (CID 79923054) is 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane.
What is the SMILES notation for 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane?
The canonical SMILES for 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane is O=S(=O)(c1ccccc1F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane?
The InChIKey is TXNPQFRRBHTHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3S2/c15-12-3-1-2-4-13(12)20(16,17)11-5-7-18-14(9-11)6-8-19-10-14/h1-4,11H,5-10H2.
What are the key properties of 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane?
9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane has a molecular weight of 316.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)sulfonyl-6-oxa-2-thiaspiro[4.5]decane is sourced from PubChem (CID 79923054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).