1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene

C9H8F2O4S2 — CID 43455420

IUPAC1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C9H8F2O4S2/c1-2-16(12,13)7-5-3-4-6-8(7)17(14,15)9(10)11/h2-6,9H,1H2
InChIKeyYNFWGHNYIBAAJX-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.60
Rot. Bonds4

About 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene

1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene (PubChem CID 43455420) has the molecular formula C9H8F2O4S2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene
PubChem CID43455420
Molecular FormulaC9H8F2O4S2
Molecular Weight282.29 g/mol
Exact Mass281.98
IUPAC Name1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C9H8F2O4S2/c1-2-16(12,13)7-5-3-4-6-8(7)17(14,15)9(10)11/h2-6,9H,1H2
InChIKeyYNFWGHNYIBAAJX-UHFFFAOYSA-N
XLogP1.60
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene?
The IUPAC name of 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene (CID 43455420) is 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene?
The canonical SMILES for 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene is C=CS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene?
The InChIKey is YNFWGHNYIBAAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O4S2/c1-2-16(12,13)7-5-3-4-6-8(7)17(14,15)9(10)11/h2-6,9H,1H2.
What are the key properties of 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene?
1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene has a molecular weight of 282.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-2-ethenylsulfonylbenzene is sourced from PubChem (CID 43455420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).