ethane;1-ethylsulfonyl-4-methylbenzene

C13H24O2S — CID 142583091

IUPACethane;1-ethylsulfonyl-4-methylbenzene
SMILESCC.CC.CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H12O2S.2C2H6/c1-3-12(10,11)9-6-4-8(2)5-7-9;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3
InChIKeyBSJZVOLLZPRFSZ-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.84
Rot. Bonds2

About ethane;1-ethylsulfonyl-4-methylbenzene

ethane;1-ethylsulfonyl-4-methylbenzene (PubChem CID 142583091) has the molecular formula C13H24O2S and a molecular weight of 244.40 g/mol. Its IUPAC name is ethane;1-ethylsulfonyl-4-methylbenzene.

Molecular Properties

Compound Nameethane;1-ethylsulfonyl-4-methylbenzene
PubChem CID142583091
Molecular FormulaC13H24O2S
Molecular Weight244.40 g/mol
Exact Mass244.15
IUPAC Nameethane;1-ethylsulfonyl-4-methylbenzene
SMILESCC.CC.CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H12O2S.2C2H6/c1-3-12(10,11)9-6-4-8(2)5-7-9;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3
InChIKeyBSJZVOLLZPRFSZ-UHFFFAOYSA-N
XLogP3.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(4-methylphenyl)sulfonylmethylazanium
CID 145005108
N,N-diethylethanamine;1-methyl-4-propylsulfonylbenzene
CID 90732645
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
4-ethylsulfonyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43689688
(4-methylphenyl)sulfonylmethanesulfonyl iodide
CID 91415915
(4-methylphenyl)sulfonyloxidanium
CID 5175018
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793
1-(2,3-dibromopropylsulfonyl)-4-methylbenzene
CID 15697980
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine
CID 71371695
2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylsulfonyl-4-methylbenzene?
The IUPAC name of ethane;1-ethylsulfonyl-4-methylbenzene (CID 142583091) is ethane;1-ethylsulfonyl-4-methylbenzene.
What is the SMILES notation for ethane;1-ethylsulfonyl-4-methylbenzene?
The canonical SMILES for ethane;1-ethylsulfonyl-4-methylbenzene is CC.CC.CCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethane;1-ethylsulfonyl-4-methylbenzene?
The InChIKey is BSJZVOLLZPRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S.2C2H6/c1-3-12(10,11)9-6-4-8(2)5-7-9;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethylsulfonyl-4-methylbenzene?
ethane;1-ethylsulfonyl-4-methylbenzene has a molecular weight of 244.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylsulfonyl-4-methylbenzene is sourced from PubChem (CID 142583091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).