1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene

C15H13FO3S — CID 135002445

IUPAC1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene
SMILESCOc1ccccc1/C=C(\F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13FO3S/c1-19-14-10-6-5-7-12(14)11-15(16)20(17,18)13-8-3-2-4-9-13/h2-11H,1H3/b15-11+
InChIKeyDZRXTBVZRAKVAI-RVDMUPIBSA-N
MW292.33 g/mol
LogP3.44
Rot. Bonds4

About 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene

1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene (PubChem CID 135002445) has the molecular formula C15H13FO3S and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene
PubChem CID135002445
Molecular FormulaC15H13FO3S
Molecular Weight292.33 g/mol
Exact Mass292.06
IUPAC Name1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene
SMILESCOc1ccccc1/C=C(\F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13FO3S/c1-19-14-10-6-5-7-12(14)11-15(16)20(17,18)13-8-3-2-4-9-13/h2-11H,1H3/b15-11+
InChIKeyDZRXTBVZRAKVAI-RVDMUPIBSA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene?
The IUPAC name of 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene (CID 135002445) is 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene?
The canonical SMILES for 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene is COc1ccccc1/C=C(\F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene?
The InChIKey is DZRXTBVZRAKVAI-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H13FO3S/c1-19-14-10-6-5-7-12(14)11-15(16)20(17,18)13-8-3-2-4-9-13/h2-11H,1H3/b15-11+.
What are the key properties of 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene?
1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene has a molecular weight of 292.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-2-methoxybenzene is sourced from PubChem (CID 135002445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).