[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene

C16H16O4S2 — CID 6158098

IUPAC[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
SMILESO=S(=O)(/C=C/S(=O)(=O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16O4S2/c17-21(18,13-15-7-3-1-4-8-15)11-12-22(19,20)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChIKeyOLWLSMUJHFUHSA-VAWYXSNFSA-N
MW336.43 g/mol
LogP2.69
Rot. Bonds6

About [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene

[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene (PubChem CID 6158098) has the molecular formula C16H16O4S2 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene.

Molecular Properties

Compound Name[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
PubChem CID6158098
Molecular FormulaC16H16O4S2
Molecular Weight336.43 g/mol
Exact Mass336.05
IUPAC Name[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene
SMILESO=S(=O)(/C=C/S(=O)(=O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16O4S2/c17-21(18,13-15-7-3-1-4-8-15)11-12-22(19,20)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChIKeyOLWLSMUJHFUHSA-VAWYXSNFSA-N
XLogP2.69
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromoprop-1-enylsulfonylmethylbenzene
CID 73028259
ethenylsulfonylmethyl(113C)cyclohexatriene
CID 67499319
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
[(E)-2-methoxyprop-1-enyl]sulfonylmethylbenzene
CID 121218492
[(Z)-but-2-enyl]sulfonylmethylbenzene
CID 13353863
benzylsulfonylsulfanylsulfonylmethylbenzene
CID 68588123
CID 68896583
CID 68896583
cerium(3+);phenylmethanesulfonate
CID 141496553
alumane;phenylmethanesulfonic acid
CID 174435213
phenylmethanesulfonic acid;phosphane
CID 173374603
azane;phenylmethanesulfonamide
CID 67842568
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958

Frequently Asked Questions

What is the IUPAC name of [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene?
The IUPAC name of [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene (CID 6158098) is [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene.
What is the SMILES notation for [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene?
The canonical SMILES for [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene is O=S(=O)(/C=C/S(=O)(=O)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene?
The InChIKey is OLWLSMUJHFUHSA-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16O4S2/c17-21(18,13-15-7-3-1-4-8-15)11-12-22(19,20)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+.
What are the key properties of [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene?
[(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene has a molecular weight of 336.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-benzylsulfonylethenyl]sulfonylmethylbenzene is sourced from PubChem (CID 6158098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).