(4-azidophenyl)methanesulfonyl fluoride

C7H6FN3O2S — CID 125456256

IUPAC(4-azidophenyl)methanesulfonyl fluoride
SMILES[N-]=[N+]=Nc1ccc(CS(=O)(=O)F)cc1
InChIInChI=1S/C7H6FN3O2S/c8-14(12,13)5-6-1-3-7(4-2-6)10-11-9/h1-4H,5H2
InChIKeyIYJWSJHIARNGRV-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.43
Rot. Bonds3

About (4-azidophenyl)methanesulfonyl fluoride

(4-azidophenyl)methanesulfonyl fluoride (PubChem CID 125456256) has the molecular formula C7H6FN3O2S and a molecular weight of 215.21 g/mol. Its IUPAC name is (4-azidophenyl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(4-azidophenyl)methanesulfonyl fluoride
PubChem CID125456256
Molecular FormulaC7H6FN3O2S
Molecular Weight215.21 g/mol
Exact Mass215.02
IUPAC Name(4-azidophenyl)methanesulfonyl fluoride
SMILES[N-]=[N+]=Nc1ccc(CS(=O)(=O)F)cc1
InChIInChI=1S/C7H6FN3O2S/c8-14(12,13)5-6-1-3-7(4-2-6)10-11-9/h1-4H,5H2
InChIKeyIYJWSJHIARNGRV-UHFFFAOYSA-N
XLogP2.43
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
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-azidophenyl)methanesulfonyl fluoride?
The IUPAC name of (4-azidophenyl)methanesulfonyl fluoride (CID 125456256) is (4-azidophenyl)methanesulfonyl fluoride.
What is the SMILES notation for (4-azidophenyl)methanesulfonyl fluoride?
The canonical SMILES for (4-azidophenyl)methanesulfonyl fluoride is [N-]=[N+]=Nc1ccc(CS(=O)(=O)F)cc1.
What is the InChIKey of (4-azidophenyl)methanesulfonyl fluoride?
The InChIKey is IYJWSJHIARNGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2S/c8-14(12,13)5-6-1-3-7(4-2-6)10-11-9/h1-4H,5H2.
What are the key properties of (4-azidophenyl)methanesulfonyl fluoride?
(4-azidophenyl)methanesulfonyl fluoride has a molecular weight of 215.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidophenyl)methanesulfonyl fluoride is sourced from PubChem (CID 125456256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).