1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene

C14H10FNO4S — CID 9036054

IUPAC1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H10FNO4S/c15-12-3-1-11(2-4-12)9-10-21(19,20)14-7-5-13(6-8-14)16(17)18/h1-10H/b10-9+
InChIKeyZXTRZPSDWGBVJB-MDZDMXLPSA-N
MW307.30 g/mol
LogP3.18
Rot. Bonds4

About 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene

1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene (PubChem CID 9036054) has the molecular formula C14H10FNO4S and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
PubChem CID9036054
Molecular FormulaC14H10FNO4S
Molecular Weight307.30 g/mol
Exact Mass307.03
IUPAC Name1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H10FNO4S/c15-12-3-1-11(2-4-12)9-10-21(19,20)14-7-5-13(6-8-14)16(17)18/h1-10H/b10-9+
InChIKeyZXTRZPSDWGBVJB-MDZDMXLPSA-N
XLogP3.18
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-(4-nitrophenyl)sulfonylethenyl]-4-(trifluoromethyl)benzene
CID 9036037
1-[(Z)-2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 71609102
1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 78131907
2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
CID 9036194
1-nitro-4-[2-[2-(4-nitrophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]benzene
CID 72826289
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
1,2,3,4,5-pentafluoro-6-[2-(4-nitrophenyl)ethenyl]benzene
CID 73129158
N-[(E)-5-(4-fluorophenyl)pent-4-enyl]-4-nitrobenzenesulfonamide
CID 135074818
1-methoxy-2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036138
1-(difluoromethoxy)-2-ethoxy-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036294
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene (CID 9036054) is 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene is O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene?
The InChIKey is ZXTRZPSDWGBVJB-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H10FNO4S/c15-12-3-1-11(2-4-12)9-10-21(19,20)14-7-5-13(6-8-14)16(17)18/h1-10H/b10-9+.
What are the key properties of 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene?
1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene has a molecular weight of 307.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene is sourced from PubChem (CID 9036054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).