4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium

C7H5F3N3O4S2+ — CID 102111013

IUPAC4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium
SMILESN#[N+]c1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C7H5F3N3O4S2/c8-7(9,10)19(16,17)13-18(14,15)6-3-1-5(12-11)2-4-6/h1-4,13H/q+1
InChIKeyXFDVCXWOAPPRMK-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.30
Rot. Bonds3

About 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium

4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium (PubChem CID 102111013) has the molecular formula C7H5F3N3O4S2+ and a molecular weight of 316.26 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium.

Molecular Properties

Compound Name4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium
PubChem CID102111013
Molecular FormulaC7H5F3N3O4S2+
Molecular Weight316.26 g/mol
Exact Mass315.97
IUPAC Name4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium
SMILESN#[N+]c1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C7H5F3N3O4S2/c8-7(9,10)19(16,17)13-18(14,15)6-3-1-5(12-11)2-4-6/h1-4,13H/q+1
InChIKeyXFDVCXWOAPPRMK-UHFFFAOYSA-N
XLogP1.30
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 89334005
ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 144895796
4-sulfobenzenediazonium bromide
CID 11010880
4-(2,5-dimethylhexan-3-yl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 156529293
4-diazoniobenzenesulfonate;hydrochloride
CID 170853368
4-diazoniobenzenesulfonate;hydron
CID 101327124
N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
CID 126606304
4-(1-propoxypropan-2-yl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 155765023
4-diazoniobenzenesulfonate;hydron;tetrafluoroborate
CID 170841623
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
CID 175971884
6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide
CID 139422293
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium?
The IUPAC name of 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium (CID 102111013) is 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium.
What is the SMILES notation for 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium?
The canonical SMILES for 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium is N#[N+]c1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium?
The InChIKey is XFDVCXWOAPPRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N3O4S2/c8-7(9,10)19(16,17)13-18(14,15)6-3-1-5(12-11)2-4-6/h1-4,13H/q+1.
What are the key properties of 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium?
4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium has a molecular weight of 316.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium is sourced from PubChem (CID 102111013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).