2-cyclohexylethylsulfonylbenzene

C14H20O2S — CID 11791690

IUPAC2-cyclohexylethylsulfonylbenzene
SMILESO=S(=O)(CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C14H20O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeySIMUKCJXWADWKM-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.43
Rot. Bonds4

About 2-cyclohexylethylsulfonylbenzene

2-cyclohexylethylsulfonylbenzene (PubChem CID 11791690) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-cyclohexylethylsulfonylbenzene.

Molecular Properties

Compound Name2-cyclohexylethylsulfonylbenzene
PubChem CID11791690
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2-cyclohexylethylsulfonylbenzene
SMILESO=S(=O)(CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C14H20O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeySIMUKCJXWADWKM-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenyl sulfone
CID 31386
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
(Ethylsulphonyl)benzene
CID 69032
Dibenzyl sulfone
CID 69282
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethylsulfonylbenzene?
The IUPAC name of 2-cyclohexylethylsulfonylbenzene (CID 11791690) is 2-cyclohexylethylsulfonylbenzene.
What is the SMILES notation for 2-cyclohexylethylsulfonylbenzene?
The canonical SMILES for 2-cyclohexylethylsulfonylbenzene is O=S(=O)(CCC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-cyclohexylethylsulfonylbenzene?
The InChIKey is SIMUKCJXWADWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2.
What are the key properties of 2-cyclohexylethylsulfonylbenzene?
2-cyclohexylethylsulfonylbenzene has a molecular weight of 252.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethylsulfonylbenzene is sourced from PubChem (CID 11791690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).