[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene

C13H18O2S — CID 102011157

IUPAC[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
SMILESC[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18O2S/c1-11-7-5-6-10-13(11)16(14,15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-,13-/m1/s1
InChIKeyLQVCCNWSEWCHEN-DGCLKSJQSA-N
MW238.35 g/mol
LogP3.04
Rot. Bonds2

About [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene

[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene (PubChem CID 102011157) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
PubChem CID102011157
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
SMILESC[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18O2S/c1-11-7-5-6-10-13(11)16(14,15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-,13-/m1/s1
InChIKeyLQVCCNWSEWCHEN-DGCLKSJQSA-N
XLogP3.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
CID 102011158
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
2-(benzenesulfonyl)cyclohexane-1-carbonitrile
CID 64690352
N-[(1S,2S)-2-(benzenesulfonyl)cyclohexyl]-N-methylhydroxylamine
CID 15528492
[2-(chloromethyl)cyclohexyl]sulfonylbenzene
CID 67997252
[2-(benzenesulfonyl)cycloheptyl]methanamine
CID 64698780
(2-methylcyclohexyl) benzenesulfonate
CID 12955852
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene?
The IUPAC name of [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene (CID 102011157) is [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene.
What is the SMILES notation for [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene?
The canonical SMILES for [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene is C[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene?
The InChIKey is LQVCCNWSEWCHEN-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H18O2S/c1-11-7-5-6-10-13(11)16(14,15)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-,13-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene?
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene has a molecular weight of 238.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclohexyl]sulfonylbenzene is sourced from PubChem (CID 102011157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).