(5-tert-butylcyclohexen-1-yl)sulfonylbenzene

C16H22O2S — CID 10826479

IUPAC(5-tert-butylcyclohexen-1-yl)sulfonylbenzene
SMILESCC(C)(C)C1CCC=C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H22O2S/c1-16(2,3)13-8-7-11-15(12-13)19(17,18)14-9-5-4-6-10-14/h4-6,9-11,13H,7-8,12H2,1-3H3
InChIKeyJXABBYDMHOKQLG-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.19
Rot. Bonds2

About (5-tert-butylcyclohexen-1-yl)sulfonylbenzene

(5-tert-butylcyclohexen-1-yl)sulfonylbenzene (PubChem CID 10826479) has the molecular formula C16H22O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is (5-tert-butylcyclohexen-1-yl)sulfonylbenzene.

Molecular Properties

Compound Name(5-tert-butylcyclohexen-1-yl)sulfonylbenzene
PubChem CID10826479
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name(5-tert-butylcyclohexen-1-yl)sulfonylbenzene
SMILESCC(C)(C)C1CCC=C(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H22O2S/c1-16(2,3)13-8-7-11-15(12-13)19(17,18)14-9-5-4-6-10-14/h4-6,9-11,13H,7-8,12H2,1-3H3
InChIKeyJXABBYDMHOKQLG-UHFFFAOYSA-N
XLogP4.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopenten-1-ylsulfonylbenzene
CID 580522
methyl 3-(benzenesulfonyl)cyclopent-3-ene-1-carboxylate
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CID 22298015
(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol
CID 15444149
(3-methylcyclohex-3-en-1-yl)sulfonylbenzene
CID 13330028
1,2-bis(benzenesulfonyl)benzene
CID 19980733
1-(benzenesulfonyl)-2-cyclopropylbenzene
CID 12644504
2-(benzenesulfonyl)-4-tert-butylcyclohexane-1-carbonitrile
CID 64689938
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
benzenesulfonylbenzene;ethane;methanol
CID 123145310
carbon monoxide;iron;(5-methoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene
CID 11811206
1-(benzenesulfonyl)cyclohepta-1,3,5-triene
CID 15499467

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylcyclohexen-1-yl)sulfonylbenzene?
The IUPAC name of (5-tert-butylcyclohexen-1-yl)sulfonylbenzene (CID 10826479) is (5-tert-butylcyclohexen-1-yl)sulfonylbenzene.
What is the SMILES notation for (5-tert-butylcyclohexen-1-yl)sulfonylbenzene?
The canonical SMILES for (5-tert-butylcyclohexen-1-yl)sulfonylbenzene is CC(C)(C)C1CCC=C(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (5-tert-butylcyclohexen-1-yl)sulfonylbenzene?
The InChIKey is JXABBYDMHOKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c1-16(2,3)13-8-7-11-15(12-13)19(17,18)14-9-5-4-6-10-14/h4-6,9-11,13H,7-8,12H2,1-3H3.
What are the key properties of (5-tert-butylcyclohexen-1-yl)sulfonylbenzene?
(5-tert-butylcyclohexen-1-yl)sulfonylbenzene has a molecular weight of 278.42 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylcyclohexen-1-yl)sulfonylbenzene is sourced from PubChem (CID 10826479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).