2-azidobenzenesulfonamide

C6H6N4O2S — CID 11310124

IUPAC2-azidobenzenesulfonamide
SMILES[N-]=[N+]=Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C6H6N4O2S/c7-10-9-5-3-1-2-4-6(5)13(8,11)12/h1-4H,(H2,8,11,12)
InChIKeyCFNOYMBYJXNTSH-UHFFFAOYSA-N
MW198.21 g/mol
LogP1.28
Rot. Bonds2

About 2-azidobenzenesulfonamide

2-azidobenzenesulfonamide (PubChem CID 11310124) has the molecular formula C6H6N4O2S and a molecular weight of 198.21 g/mol. Its IUPAC name is 2-azidobenzenesulfonamide.

Molecular Properties

Compound Name2-azidobenzenesulfonamide
PubChem CID11310124
Molecular FormulaC6H6N4O2S
Molecular Weight198.21 g/mol
Exact Mass198.02
IUPAC Name2-azidobenzenesulfonamide
SMILES[N-]=[N+]=Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C6H6N4O2S/c7-10-9-5-3-1-2-4-6(5)13(8,11)12/h1-4H,(H2,8,11,12)
InChIKeyCFNOYMBYJXNTSH-UHFFFAOYSA-N
XLogP1.28
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
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 2-azidobenzenesulfonamide?
The IUPAC name of 2-azidobenzenesulfonamide (CID 11310124) is 2-azidobenzenesulfonamide.
What is the SMILES notation for 2-azidobenzenesulfonamide?
The canonical SMILES for 2-azidobenzenesulfonamide is [N-]=[N+]=Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-azidobenzenesulfonamide?
The InChIKey is CFNOYMBYJXNTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S/c7-10-9-5-3-1-2-4-6(5)13(8,11)12/h1-4H,(H2,8,11,12).
What are the key properties of 2-azidobenzenesulfonamide?
2-azidobenzenesulfonamide has a molecular weight of 198.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidobenzenesulfonamide is sourced from PubChem (CID 11310124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).