1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene

C24H34O2S — CID 56983277

IUPAC1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene
SMILESCCc1cc(CC)c(S(=O)(=O)c2c(CC)cc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C24H34O2S/c1-7-17-13-19(9-3)23(20(10-4)14-17)27(25,26)24-21(11-5)15-18(8-2)16-22(24)12-6/h13-16H,7-12H2,1-6H3
InChIKeyGADFXDWHCDXJEG-UHFFFAOYSA-N
MW386.60 g/mol
LogP5.89
Rot. Bonds8

About 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene

1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene (PubChem CID 56983277) has the molecular formula C24H34O2S and a molecular weight of 386.60 g/mol. Its IUPAC name is 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene
PubChem CID56983277
Molecular FormulaC24H34O2S
Molecular Weight386.60 g/mol
Exact Mass386.23
IUPAC Name1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene
SMILESCCc1cc(CC)c(S(=O)(=O)c2c(CC)cc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C24H34O2S/c1-7-17-13-19(9-3)23(20(10-4)14-17)27(25,26)24-21(11-5)15-18(8-2)16-22(24)12-6/h13-16H,7-12H2,1-6H3
InChIKeyGADFXDWHCDXJEG-UHFFFAOYSA-N
XLogP5.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diethyl-6-methylbenzenesulfonic acid
CID 91576968
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
lithium;hydride;1,3,5-triethylbenzene
CID 174873379
2-tert-butyl-1,3,5-triethylbenzene
CID 140660512
4-(2,4-diethylphenyl)sulfonylphenol
CID 71331194
1,3,7-triethylnaphthalene
CID 71445350
2-(1-bromo-2,2-difluoroethyl)-1,3,5-triethylbenzene
CID 103514641
2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine
CID 104519089
2-(chloromethyl)-6-cyano-4-ethylbenzenesulfonyl chloride
CID 131604259
2,4,6-triethylbenzenesulfinic acid
CID 21257200
3,5-diethyl-2-methylaniline
CID 105432272
2,4,6-triethylbenzoyl iodide
CID 139959913

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene?
The IUPAC name of 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene (CID 56983277) is 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene.
What is the SMILES notation for 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene?
The canonical SMILES for 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene is CCc1cc(CC)c(S(=O)(=O)c2c(CC)cc(CC)cc2CC)c(CC)c1.
What is the InChIKey of 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene?
The InChIKey is GADFXDWHCDXJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2S/c1-7-17-13-19(9-3)23(20(10-4)14-17)27(25,26)24-21(11-5)15-18(8-2)16-22(24)12-6/h13-16H,7-12H2,1-6H3.
What are the key properties of 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene?
1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene has a molecular weight of 386.60 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene is sourced from PubChem (CID 56983277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).