2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide

C8H9FN4O2S — CID 91437934

IUPAC2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide
SMILES[N-]=[N+]=NCc1ccc(CF)cc1S(N)(=O)=O
InChIInChI=1S/C8H9FN4O2S/c9-4-6-1-2-7(5-12-13-10)8(3-6)16(11,14)15/h1-3H,4-5H2,(H2,11,14,15)
InChIKeyZVSNLXLXXBAFPS-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.61
Rot. Bonds4

About 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide

2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide (PubChem CID 91437934) has the molecular formula C8H9FN4O2S and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide
PubChem CID91437934
Molecular FormulaC8H9FN4O2S
Molecular Weight244.25 g/mol
Exact Mass244.04
IUPAC Name2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide
SMILES[N-]=[N+]=NCc1ccc(CF)cc1S(N)(=O)=O
InChIInChI=1S/C8H9FN4O2S/c9-4-6-1-2-7(5-12-13-10)8(3-6)16(11,14)15/h1-3H,4-5H2,(H2,11,14,15)
InChIKeyZVSNLXLXXBAFPS-UHFFFAOYSA-N
XLogP1.61
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide (CID 91437934) is 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide is [N-]=[N+]=NCc1ccc(CF)cc1S(N)(=O)=O.
What is the InChIKey of 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide?
The InChIKey is ZVSNLXLXXBAFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O2S/c9-4-6-1-2-7(5-12-13-10)8(3-6)16(11,14)15/h1-3H,4-5H2,(H2,11,14,15).
What are the key properties of 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide?
2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide has a molecular weight of 244.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-(fluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91437934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).