(3-fluorocyclohexyl)sulfonylbenzene

C12H15FO2S — CID 66796259

IUPAC(3-fluorocyclohexyl)sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1CCCC(F)C1
InChIInChI=1S/C12H15FO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyDIHWTKWYLFHMHM-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.74
Rot. Bonds2

About (3-fluorocyclohexyl)sulfonylbenzene

(3-fluorocyclohexyl)sulfonylbenzene (PubChem CID 66796259) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is (3-fluorocyclohexyl)sulfonylbenzene.

Molecular Properties

Compound Name(3-fluorocyclohexyl)sulfonylbenzene
PubChem CID66796259
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name(3-fluorocyclohexyl)sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1CCCC(F)C1
InChIInChI=1S/C12H15FO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyDIHWTKWYLFHMHM-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl)sulfonylbenzene?
The IUPAC name of (3-fluorocyclohexyl)sulfonylbenzene (CID 66796259) is (3-fluorocyclohexyl)sulfonylbenzene.
What is the SMILES notation for (3-fluorocyclohexyl)sulfonylbenzene?
The canonical SMILES for (3-fluorocyclohexyl)sulfonylbenzene is O=S(=O)(c1ccccc1)C1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl)sulfonylbenzene?
The InChIKey is DIHWTKWYLFHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c13-10-5-4-8-12(9-10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2.
What are the key properties of (3-fluorocyclohexyl)sulfonylbenzene?
(3-fluorocyclohexyl)sulfonylbenzene has a molecular weight of 242.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl)sulfonylbenzene is sourced from PubChem (CID 66796259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).