benzene;benzenesulfonylbenzene;ethane;methoxymethane

C32H46O4S — CID 158977372

IUPACbenzene;benzenesulfonylbenzene;ethane;methoxymethane
SMILESCC.CC.COC.COC.O=S(=O)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C12H10O2S.2C6H6.2C2H6O.2C2H6/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;2*1-3-2;2*1-2/h1-10H;2*1-6H;2*1-2H3;2*1-2H3
InChIKeyJOOGRPOZEIOTTN-UHFFFAOYSA-N
MW526.78 g/mol
LogP8.47
Rot. Bonds2

About benzene;benzenesulfonylbenzene;ethane;methoxymethane

benzene;benzenesulfonylbenzene;ethane;methoxymethane (PubChem CID 158977372) has the molecular formula C32H46O4S and a molecular weight of 526.78 g/mol. Its IUPAC name is benzene;benzenesulfonylbenzene;ethane;methoxymethane.

Molecular Properties

Compound Namebenzene;benzenesulfonylbenzene;ethane;methoxymethane
PubChem CID158977372
Molecular FormulaC32H46O4S
Molecular Weight526.78 g/mol
Exact Mass526.31
IUPAC Namebenzene;benzenesulfonylbenzene;ethane;methoxymethane
SMILESCC.CC.COC.COC.O=S(=O)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C12H10O2S.2C6H6.2C2H6O.2C2H6/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;2*1-3-2;2*1-2/h1-10H;2*1-6H;2*1-2H3;2*1-2H3
InChIKeyJOOGRPOZEIOTTN-UHFFFAOYSA-N
XLogP8.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.78
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
benzenesulfonylbenzene;oxalic acid
CID 67897674
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
1,2-bis(benzenesulfonyl)benzene
CID 19980733
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437

Frequently Asked Questions

What is the IUPAC name of benzene;benzenesulfonylbenzene;ethane;methoxymethane?
The IUPAC name of benzene;benzenesulfonylbenzene;ethane;methoxymethane (CID 158977372) is benzene;benzenesulfonylbenzene;ethane;methoxymethane.
What is the SMILES notation for benzene;benzenesulfonylbenzene;ethane;methoxymethane?
The canonical SMILES for benzene;benzenesulfonylbenzene;ethane;methoxymethane is CC.CC.COC.COC.O=S(=O)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;benzenesulfonylbenzene;ethane;methoxymethane?
The InChIKey is JOOGRPOZEIOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S.2C6H6.2C2H6O.2C2H6/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;2*1-3-2;2*1-2/h1-10H;2*1-6H;2*1-2H3;2*1-2H3.
What are the key properties of benzene;benzenesulfonylbenzene;ethane;methoxymethane?
benzene;benzenesulfonylbenzene;ethane;methoxymethane has a molecular weight of 526.78 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzenesulfonylbenzene;ethane;methoxymethane is sourced from PubChem (CID 158977372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).