1,2,3,4-tetramethyl-5-propylsulfonylbenzene

C13H20O2S — CID 21353064

IUPAC1,2,3,4-tetramethyl-5-propylsulfonylbenzene
SMILESCCCS(=O)(=O)c1cc(C)c(C)c(C)c1C
InChIInChI=1S/C13H20O2S/c1-6-7-16(14,15)13-8-9(2)10(3)11(4)12(13)5/h8H,6-7H2,1-5H3
InChIKeyFRDWNLRBDNPSQG-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.10
Rot. Bonds3

About 1,2,3,4-tetramethyl-5-propylsulfonylbenzene

1,2,3,4-tetramethyl-5-propylsulfonylbenzene (PubChem CID 21353064) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-propylsulfonylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-propylsulfonylbenzene
PubChem CID21353064
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1,2,3,4-tetramethyl-5-propylsulfonylbenzene
SMILESCCCS(=O)(=O)c1cc(C)c(C)c(C)c1C
InChIInChI=1S/C13H20O2S/c1-6-7-16(14,15)13-8-9(2)10(3)11(4)12(13)5/h8H,6-7H2,1-5H3
InChIKeyFRDWNLRBDNPSQG-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethylbenzenesulfonic acid
CID 294870
1,3,5-Trimethyl-2-(2,4,5-Trimethyl-Benzenesulfonyl)-Benzene
CID 71561951
Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-
CID 74553
2,3,5,6-Tetramethylbenzenesulfonyl chloride
CID 143740
2,4-Dimethyl-1-(methylsulfonyl)benzene
CID 2758616
Benzene, dimethyl[(methylphenyl)sulfonyl]-
CID 169028
2,3,4,5-Tetramethylbenzenesulfonyl chloride
CID 12503192
3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide
CID 70647
Benzenesulfonic acid, tetrapropyl-
CID 178392
Benzene, 1,3,5-trimethyl-2-(methylsulfonyl)-
CID 577272
1,3,5-Triisopropyl-2-(methylsulfonyl)benzene
CID 640904
1,4-Dimethyl-2-methylsulfonylbenzene
CID 2758617

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-propylsulfonylbenzene?
The IUPAC name of 1,2,3,4-tetramethyl-5-propylsulfonylbenzene (CID 21353064) is 1,2,3,4-tetramethyl-5-propylsulfonylbenzene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-propylsulfonylbenzene?
The canonical SMILES for 1,2,3,4-tetramethyl-5-propylsulfonylbenzene is CCCS(=O)(=O)c1cc(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-propylsulfonylbenzene?
The InChIKey is FRDWNLRBDNPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-6-7-16(14,15)13-8-9(2)10(3)11(4)12(13)5/h8H,6-7H2,1-5H3.
What are the key properties of 1,2,3,4-tetramethyl-5-propylsulfonylbenzene?
1,2,3,4-tetramethyl-5-propylsulfonylbenzene has a molecular weight of 240.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-propylsulfonylbenzene is sourced from PubChem (CID 21353064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).