4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide

C13H9F4N3O2S — CID 71584197

IUPAC4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(N/N=C/c2ccccc2)c(F)c1F
InChIInChI=1S/C13H9F4N3O2S/c14-8-10(16)13(23(18,21)22)11(17)9(15)12(8)20-19-6-7-4-2-1-3-5-7/h1-6,20H,(H2,18,21,22)/b19-6+
InChIKeyFONSQMSMSCXXDM-KPSZGOFPSA-N
MW347.29 g/mol
LogP2.34
Rot. Bonds4

About 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide

4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide (PubChem CID 71584197) has the molecular formula C13H9F4N3O2S and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide
PubChem CID71584197
Molecular FormulaC13H9F4N3O2S
Molecular Weight347.29 g/mol
Exact Mass347.04
IUPAC Name4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(N/N=C/c2ccccc2)c(F)c1F
InChIInChI=1S/C13H9F4N3O2S/c14-8-10(16)13(23(18,21)22)11(17)9(15)12(8)20-19-6-7-4-2-1-3-5-7/h1-6,20H,(H2,18,21,22)/b19-6+
InChIKeyFONSQMSMSCXXDM-KPSZGOFPSA-N
XLogP2.34
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The IUPAC name of 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide (CID 71584197) is 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(N/N=C/c2ccccc2)c(F)c1F.
What is the InChIKey of 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The InChIKey is FONSQMSMSCXXDM-KPSZGOFPSA-N. The full InChI is InChI=1S/C13H9F4N3O2S/c14-8-10(16)13(23(18,21)22)11(17)9(15)12(8)20-19-6-7-4-2-1-3-5-7/h1-6,20H,(H2,18,21,22)/b19-6+.
What are the key properties of 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide has a molecular weight of 347.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-benzylidenehydrazinyl]-2,3,5,6-tetrafluorobenzenesulfonamide is sourced from PubChem (CID 71584197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).