(4-methylcyclohexyl)sulfonylbenzene

C13H18O2S — CID 10537916

IUPAC(4-methylcyclohexyl)sulfonylbenzene
SMILESCC1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H18O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyQZHDUTXNXNEWOA-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.04
Rot. Bonds2

About (4-methylcyclohexyl)sulfonylbenzene

(4-methylcyclohexyl)sulfonylbenzene (PubChem CID 10537916) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (4-methylcyclohexyl)sulfonylbenzene.

Molecular Properties

Compound Name(4-methylcyclohexyl)sulfonylbenzene
PubChem CID10537916
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(4-methylcyclohexyl)sulfonylbenzene
SMILESCC1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H18O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyQZHDUTXNXNEWOA-UHFFFAOYSA-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

(2R)-5-(benzenesulfonyl)-2-methylcyclohexan-1-one
CID 167093009
(1R,2R,5R)-2-(benzenesulfonyl)-5-methylcyclohexan-1-ol
CID 164781537
3-(benzenesulfonyl)-N-propylcyclopentan-1-amine
CID 64722832
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
1-tert-butyl-4-cyclopropylsulfonylbenzene
CID 117031985
(1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane
CID 98193012
(3-methylcyclohex-3-en-1-yl)sulfonylbenzene
CID 13330028
3-(benzenesulfonyl)cyclopentan-1-one
CID 64722631
(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
(1S,5R)-3-(benzenesulfonyl)-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97417329

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)sulfonylbenzene?
The IUPAC name of (4-methylcyclohexyl)sulfonylbenzene (CID 10537916) is (4-methylcyclohexyl)sulfonylbenzene.
What is the SMILES notation for (4-methylcyclohexyl)sulfonylbenzene?
The canonical SMILES for (4-methylcyclohexyl)sulfonylbenzene is CC1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of (4-methylcyclohexyl)sulfonylbenzene?
The InChIKey is QZHDUTXNXNEWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of (4-methylcyclohexyl)sulfonylbenzene?
(4-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 (4-methylcyclohexyl)sulfonylbenzene is sourced from PubChem (CID 10537916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).