fluorobenzene;prop-2-enylsulfonylbenzene

C15H15FO2S — CID 174649158

IUPACfluorobenzene;prop-2-enylsulfonylbenzene
SMILESC=CCS(=O)(=O)c1ccccc1.Fc1ccccc1
InChIInChI=1S/C9H10O2S.C6H5F/c1-2-8-12(10,11)9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h2-7H,1,8H2;1-5H
InChIKeyUTASFMHYCNATRA-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.47
Rot. Bonds3

About fluorobenzene;prop-2-enylsulfonylbenzene

fluorobenzene;prop-2-enylsulfonylbenzene (PubChem CID 174649158) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is fluorobenzene;prop-2-enylsulfonylbenzene.

Molecular Properties

Compound Namefluorobenzene;prop-2-enylsulfonylbenzene
PubChem CID174649158
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Namefluorobenzene;prop-2-enylsulfonylbenzene
SMILESC=CCS(=O)(=O)c1ccccc1.Fc1ccccc1
InChIInChI=1S/C9H10O2S.C6H5F/c1-2-8-12(10,11)9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h2-7H,1,8H2;1-5H
InChIKeyUTASFMHYCNATRA-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-prop-2-enylsulfonylbenzene
CID 174601529
1,1'-biphenyl;1-prop-2-enylsulfonyl-4-(4-prop-2-enylsulfonylphenyl)sulfanyloxysulfanylbenzene
CID 174624614
carbonic acid;1-methyl-4-prop-2-enylsulfonylbenzene
CID 159550827
hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane
CID 67830505
2-(4-prop-2-enylsulfonylphenyl)isoindole-1,3-dione
CID 168518809
(E)-4-(benzenesulfonyl)but-2-en-1-ol
CID 102081679
1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene
CID 14580172
1-phenyl-2-prop-2-enylsulfonylbenzene
CID 68657495
fluorobenzene;prop-1-ene
CID 18357463
3-phenyl-4-prop-2-enylsulfonylpyrrole-2,5-dione
CID 175375503
4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene
CID 15195507
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;prop-2-enylsulfonylbenzene?
The IUPAC name of fluorobenzene;prop-2-enylsulfonylbenzene (CID 174649158) is fluorobenzene;prop-2-enylsulfonylbenzene.
What is the SMILES notation for fluorobenzene;prop-2-enylsulfonylbenzene?
The canonical SMILES for fluorobenzene;prop-2-enylsulfonylbenzene is C=CCS(=O)(=O)c1ccccc1.Fc1ccccc1.
What is the InChIKey of fluorobenzene;prop-2-enylsulfonylbenzene?
The InChIKey is UTASFMHYCNATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S.C6H5F/c1-2-8-12(10,11)9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h2-7H,1,8H2;1-5H.
What are the key properties of fluorobenzene;prop-2-enylsulfonylbenzene?
fluorobenzene;prop-2-enylsulfonylbenzene has a molecular weight of 278.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;prop-2-enylsulfonylbenzene is sourced from PubChem (CID 174649158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).