3-cyano-4-fluorobenzenesulfonohydrazide

C7H6FN3O2S — CID 63288067

IUPAC3-cyano-4-fluorobenzenesulfonohydrazide
SMILESN#Cc1cc(S(=O)(=O)NN)ccc1F
InChIInChI=1S/C7H6FN3O2S/c8-7-2-1-6(3-5(7)4-9)14(12,13)11-10/h1-3,11H,10H2
InChIKeyAVISULBJWNBHFG-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.15
Rot. Bonds2

About 3-cyano-4-fluorobenzenesulfonohydrazide

3-cyano-4-fluorobenzenesulfonohydrazide (PubChem CID 63288067) has the molecular formula C7H6FN3O2S and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-cyano-4-fluorobenzenesulfonohydrazide.

Molecular Properties

Compound Name3-cyano-4-fluorobenzenesulfonohydrazide
PubChem CID63288067
Molecular FormulaC7H6FN3O2S
Molecular Weight215.21 g/mol
Exact Mass215.02
IUPAC Name3-cyano-4-fluorobenzenesulfonohydrazide
SMILESN#Cc1cc(S(=O)(=O)NN)ccc1F
InChIInChI=1S/C7H6FN3O2S/c8-7-2-1-6(3-5(7)4-9)14(12,13)11-10/h1-3,11H,10H2
InChIKeyAVISULBJWNBHFG-UHFFFAOYSA-N
XLogP-0.15
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-cyano-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 55171923
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide
CID 63239306
methyl 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoate
CID 63288587
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 63239212
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66354770
3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide
CID 63287874
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluorobenzenesulfonohydrazide?
The IUPAC name of 3-cyano-4-fluorobenzenesulfonohydrazide (CID 63288067) is 3-cyano-4-fluorobenzenesulfonohydrazide.
What is the SMILES notation for 3-cyano-4-fluorobenzenesulfonohydrazide?
The canonical SMILES for 3-cyano-4-fluorobenzenesulfonohydrazide is N#Cc1cc(S(=O)(=O)NN)ccc1F.
What is the InChIKey of 3-cyano-4-fluorobenzenesulfonohydrazide?
The InChIKey is AVISULBJWNBHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2S/c8-7-2-1-6(3-5(7)4-9)14(12,13)11-10/h1-3,11H,10H2.
What are the key properties of 3-cyano-4-fluorobenzenesulfonohydrazide?
3-cyano-4-fluorobenzenesulfonohydrazide has a molecular weight of 215.21 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluorobenzenesulfonohydrazide is sourced from PubChem (CID 63288067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).