N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide

C13H11F7N2O3S — CID 126369506

IUPACN'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide
SMILESC/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11F7N2O3S/c1-8(21-22-26(24,25)9-5-3-2-4-6-9)7-10(23)11(14,15)12(16,17)13(18,19)20/h2-7,21-22H,1H3/b8-7+
InChIKeyYOYHOHXTVAYBMS-BQYQJAHWSA-N
MW408.30 g/mol
LogP2.78
Rot. Bonds7

About N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide

N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide (PubChem CID 126369506) has the molecular formula C13H11F7N2O3S and a molecular weight of 408.30 g/mol. Its IUPAC name is N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide
PubChem CID126369506
Molecular FormulaC13H11F7N2O3S
Molecular Weight408.30 g/mol
Exact Mass408.04
IUPAC NameN'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide
SMILESC/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11F7N2O3S/c1-8(21-22-26(24,25)9-5-3-2-4-6-9)7-10(23)11(14,15)12(16,17)13(18,19)20/h2-7,21-22H,1H3/b8-7+
InChIKeyYOYHOHXTVAYBMS-BQYQJAHWSA-N
XLogP2.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide
CID 6183238
N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide
CID 5369919
1-(benzenesulfonamido)-3-propan-2-ylurea
CID 47173657
N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide
CID 147257459
2-amino-N'-(benzenesulfonyl)-2-methylpropanehydrazide
CID 67519869
4-chloro-N'-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-oxodec-2-en-2-yl]benzohydrazide
CID 5372540
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide
CID 6386891
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 167946081
2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 55878321
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide?
The IUPAC name of N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide (CID 126369506) is N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide?
The canonical SMILES for N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide is C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide?
The InChIKey is YOYHOHXTVAYBMS-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H11F7N2O3S/c1-8(21-22-26(24,25)9-5-3-2-4-6-9)7-10(23)11(14,15)12(16,17)13(18,19)20/h2-7,21-22H,1H3/b8-7+.
What are the key properties of N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide?
N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide has a molecular weight of 408.30 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzenesulfonohydrazide is sourced from PubChem (CID 126369506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).