1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene

C9H9FO2S — CID 13418310

IUPAC1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C/F)cc1
InChIInChI=1S/C9H9FO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-7H,1H3/b7-6+
InChIKeySOXHKYNMFXLIPC-VOTSOKGWSA-N
MW200.23 g/mol
LogP2.21
Rot. Bonds2

About 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene

1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene (PubChem CID 13418310) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
PubChem CID13418310
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)/C=C/F)cc1
InChIInChI=1S/C9H9FO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-7H,1H3/b7-6+
InChIKeySOXHKYNMFXLIPC-VOTSOKGWSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
(Z)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 6604905
1-methyl-4-[(E)-pent-1-en-3-ynyl]sulfonylbenzene
CID 13012826
(4-methylphenyl)sulfonyl sulfate
CID 23103740
1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene
CID 100976770
1-[(E)-hex-1-enyl]sulfonyl-4-methylbenzene
CID 12556455
3-fluoroprop-2-enyl 4-methylbenzenesulfonate
CID 175032212
2-(4-methylphenyl)sulfonylethenone
CID 54505790
1-methyl-4-(2-methylbuta-1,3-dienylsulfonyl)benzene
CID 85299579
CID 87702131
CID 87702131
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene (CID 13418310) is 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)/C=C/F)cc1.
What is the InChIKey of 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene?
The InChIKey is SOXHKYNMFXLIPC-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9FO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-7H,1H3/b7-6+.
What are the key properties of 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene?
1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene has a molecular weight of 200.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 13418310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).