2,4-dimethylpentan-3-ylsulfonylbenzene

C13H20O2S — CID 86016974

IUPAC2,4-dimethylpentan-3-ylsulfonylbenzene
SMILESCC(C)C(C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H20O2S/c1-10(2)13(11(3)4)16(14,15)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKeyDVOVGFYQNVXLEZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.14
Rot. Bonds4

About 2,4-dimethylpentan-3-ylsulfonylbenzene

2,4-dimethylpentan-3-ylsulfonylbenzene (PubChem CID 86016974) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-ylsulfonylbenzene.

Molecular Properties

Compound Name2,4-dimethylpentan-3-ylsulfonylbenzene
PubChem CID86016974
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2,4-dimethylpentan-3-ylsulfonylbenzene
SMILESCC(C)C(C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H20O2S/c1-10(2)13(11(3)4)16(14,15)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKeyDVOVGFYQNVXLEZ-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-ylsulfonylbenzene?
The IUPAC name of 2,4-dimethylpentan-3-ylsulfonylbenzene (CID 86016974) is 2,4-dimethylpentan-3-ylsulfonylbenzene.
What is the SMILES notation for 2,4-dimethylpentan-3-ylsulfonylbenzene?
The canonical SMILES for 2,4-dimethylpentan-3-ylsulfonylbenzene is CC(C)C(C(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2,4-dimethylpentan-3-ylsulfonylbenzene?
The InChIKey is DVOVGFYQNVXLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-10(2)13(11(3)4)16(14,15)12-8-6-5-7-9-12/h5-11,13H,1-4H3.
What are the key properties of 2,4-dimethylpentan-3-ylsulfonylbenzene?
2,4-dimethylpentan-3-ylsulfonylbenzene has a molecular weight of 240.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-ylsulfonylbenzene is sourced from PubChem (CID 86016974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).