4-(azidomethyl)-2-fluorobenzenesulfonamide

C7H7FN4O2S — CID 59667825

IUPAC4-(azidomethyl)-2-fluorobenzenesulfonamide
SMILES[N-]=[N+]=NCc1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C7H7FN4O2S/c8-6-3-5(4-11-12-9)1-2-7(6)15(10,13)14/h1-3H,4H2,(H2,10,13,14)
InChIKeyMPCALAKQHMSNGT-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.28
Rot. Bonds3

About 4-(azidomethyl)-2-fluorobenzenesulfonamide

4-(azidomethyl)-2-fluorobenzenesulfonamide (PubChem CID 59667825) has the molecular formula C7H7FN4O2S and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(azidomethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(azidomethyl)-2-fluorobenzenesulfonamide
PubChem CID59667825
Molecular FormulaC7H7FN4O2S
Molecular Weight230.22 g/mol
Exact Mass230.03
IUPAC Name4-(azidomethyl)-2-fluorobenzenesulfonamide
SMILES[N-]=[N+]=NCc1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C7H7FN4O2S/c8-6-3-5(4-11-12-9)1-2-7(6)15(10,13)14/h1-3H,4H2,(H2,10,13,14)
InChIKeyMPCALAKQHMSNGT-UHFFFAOYSA-N
XLogP1.28
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.28
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 4-(azidomethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(azidomethyl)-2-fluorobenzenesulfonamide (CID 59667825) is 4-(azidomethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(azidomethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(azidomethyl)-2-fluorobenzenesulfonamide is [N-]=[N+]=NCc1ccc(S(N)(=O)=O)c(F)c1.
What is the InChIKey of 4-(azidomethyl)-2-fluorobenzenesulfonamide?
The InChIKey is MPCALAKQHMSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4O2S/c8-6-3-5(4-11-12-9)1-2-7(6)15(10,13)14/h1-3H,4H2,(H2,10,13,14).
What are the key properties of 4-(azidomethyl)-2-fluorobenzenesulfonamide?
4-(azidomethyl)-2-fluorobenzenesulfonamide has a molecular weight of 230.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 59667825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).