N-diazo-4-fluoro-3-nitrosobenzenesulfonamide

C6H3FN4O3S — CID 88935009

IUPACN-diazo-4-fluoro-3-nitrosobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(F)c(N=O)c1
InChIInChI=1S/C6H3FN4O3S/c7-5-2-1-4(3-6(5)9-12)15(13,14)11-10-8/h1-3H
InChIKeyZVKVGVIFGTZWGC-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.22
Rot. Bonds3

About N-diazo-4-fluoro-3-nitrosobenzenesulfonamide

N-diazo-4-fluoro-3-nitrosobenzenesulfonamide (PubChem CID 88935009) has the molecular formula C6H3FN4O3S and a molecular weight of 230.18 g/mol. Its IUPAC name is N-diazo-4-fluoro-3-nitrosobenzenesulfonamide.

Molecular Properties

Compound NameN-diazo-4-fluoro-3-nitrosobenzenesulfonamide
PubChem CID88935009
Molecular FormulaC6H3FN4O3S
Molecular Weight230.18 g/mol
Exact Mass229.99
IUPAC NameN-diazo-4-fluoro-3-nitrosobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(F)c(N=O)c1
InChIInChI=1S/C6H3FN4O3S/c7-5-2-1-4(3-6(5)9-12)15(13,14)11-10-8/h1-3H
InChIKeyZVKVGVIFGTZWGC-UHFFFAOYSA-N
XLogP2.22
TPSA112.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazo-4-fluoro-3-nitrosobenzenesulfonamide?
The IUPAC name of N-diazo-4-fluoro-3-nitrosobenzenesulfonamide (CID 88935009) is N-diazo-4-fluoro-3-nitrosobenzenesulfonamide.
What is the SMILES notation for N-diazo-4-fluoro-3-nitrosobenzenesulfonamide?
The canonical SMILES for N-diazo-4-fluoro-3-nitrosobenzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccc(F)c(N=O)c1.
What is the InChIKey of N-diazo-4-fluoro-3-nitrosobenzenesulfonamide?
The InChIKey is ZVKVGVIFGTZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN4O3S/c7-5-2-1-4(3-6(5)9-12)15(13,14)11-10-8/h1-3H.
What are the key properties of N-diazo-4-fluoro-3-nitrosobenzenesulfonamide?
N-diazo-4-fluoro-3-nitrosobenzenesulfonamide has a molecular weight of 230.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-4-fluoro-3-nitrosobenzenesulfonamide is sourced from PubChem (CID 88935009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).