benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane

C28H30O3S — CID 67285974

IUPACbenzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
SMILESCCOCC.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O2S.C12H10.C4H10O/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;1-10H;3-4H2,1-2H3
InChIKeyOHNMWOKHMWEIKP-UHFFFAOYSA-N
MW446.61 g/mol
LogP6.92
Rot. Bonds5

About benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane

benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane (PubChem CID 67285974) has the molecular formula C28H30O3S and a molecular weight of 446.61 g/mol. Its IUPAC name is benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane.

Molecular Properties

Compound Namebenzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
PubChem CID67285974
Molecular FormulaC28H30O3S
Molecular Weight446.61 g/mol
Exact Mass446.19
IUPAC Namebenzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
SMILESCCOCC.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O2S.C12H10.C4H10O/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;1-10H;3-4H2,1-2H3
InChIKeyOHNMWOKHMWEIKP-UHFFFAOYSA-N
XLogP6.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.61
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
1-(benzenesulfonyl)-3-(ethoxymethyl)benzene
CID 134455223
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553
ethyl 4-(benzenesulfonyl)benzoate
CID 134951764
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467

Frequently Asked Questions

What is the IUPAC name of benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane?
The IUPAC name of benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane (CID 67285974) is benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane.
What is the SMILES notation for benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane?
The canonical SMILES for benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane is CCOCC.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane?
The InChIKey is OHNMWOKHMWEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S.C12H10.C4H10O/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;1-10H;3-4H2,1-2H3.
What are the key properties of benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane?
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane has a molecular weight of 446.61 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane is sourced from PubChem (CID 67285974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).