2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide

C9H6BrN5O2S — CID 169340090

IUPAC2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide
SMILESN#CC(C#N)=NNc1cccc(Br)c1S(N)(=O)=O
InChIInChI=1S/C9H6BrN5O2S/c10-7-2-1-3-8(9(7)18(13,16)17)15-14-6(4-11)5-12/h1-3,15H,(H2,13,16,17)
InChIKeyQJIGFWOFFHYABA-UHFFFAOYSA-N
MW328.15 g/mol
LogP0.91
Rot. Bonds3

About 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide

2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide (PubChem CID 169340090) has the molecular formula C9H6BrN5O2S and a molecular weight of 328.15 g/mol. Its IUPAC name is 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide
PubChem CID169340090
Molecular FormulaC9H6BrN5O2S
Molecular Weight328.15 g/mol
Exact Mass326.94
IUPAC Name2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide
SMILESN#CC(C#N)=NNc1cccc(Br)c1S(N)(=O)=O
InChIInChI=1S/C9H6BrN5O2S/c10-7-2-1-3-8(9(7)18(13,16)17)15-14-6(4-11)5-12/h1-3,15H,(H2,13,16,17)
InChIKeyQJIGFWOFFHYABA-UHFFFAOYSA-N
XLogP0.91
TPSA132.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', '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 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide?
The IUPAC name of 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide (CID 169340090) is 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide is N#CC(C#N)=NNc1cccc(Br)c1S(N)(=O)=O.
What is the InChIKey of 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide?
The InChIKey is QJIGFWOFFHYABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5O2S/c10-7-2-1-3-8(9(7)18(13,16)17)15-14-6(4-11)5-12/h1-3,15H,(H2,13,16,17).
What are the key properties of 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide?
2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 328.15 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(dicyanomethylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 169340090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).