1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene

C13H20O2S — CID 15026750

IUPAC1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene
SMILESCCc1ccccc1S(=O)(=O)C(C)(C)CC
InChIInChI=1S/C13H20O2S/c1-5-11-9-7-8-10-12(11)16(14,15)13(3,4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyGAHALMBXCSLSBI-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.21
Rot. Bonds4

About 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene

1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene (PubChem CID 15026750) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene
PubChem CID15026750
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene
SMILESCCc1ccccc1S(=O)(=O)C(C)(C)CC
InChIInChI=1S/C13H20O2S/c1-5-11-9-7-8-10-12(11)16(14,15)13(3,4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyGAHALMBXCSLSBI-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-[(2-ethylphenyl)sulfonylmethylsulfonyl]benzene
CID 87641988
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865
1-[2-(trifluoromethylsulfonyl)phenyl]butan-2-one
CID 63198852
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
1-ethyl-2-prop-2-ynylsulfonylbenzene
CID 82368760
1,2-diethylbenzene;hydrobromide
CID 174973685
1-ethyl-2-(2-methylbutan-2-yloxy)benzene
CID 13132255
3-ethyl-2-hydroxybenzenesulfonic acid
CID 19033634
butan-2-yl 2-ethylbenzenesulfonate
CID 139720074
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
3-(2-ethylphenyl)pentane-3-sulfonic acid
CID 151121032

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene?
The IUPAC name of 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene (CID 15026750) is 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene.
What is the SMILES notation for 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene?
The canonical SMILES for 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene is CCc1ccccc1S(=O)(=O)C(C)(C)CC.
What is the InChIKey of 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene?
The InChIKey is GAHALMBXCSLSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-5-11-9-7-8-10-12(11)16(14,15)13(3,4)6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene?
1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene has a molecular weight of 240.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylbutan-2-ylsulfonyl)benzene is sourced from PubChem (CID 15026750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).