4-bromo-N-diazo-2-ethylbenzenesulfonamide

C8H8BrN3O2S — CID 59235675

IUPAC4-bromo-N-diazo-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C8H8BrN3O2S/c1-2-6-5-7(9)3-4-8(6)15(13,14)12-11-10/h3-5H,2H2,1H3
InChIKeySAQREZIUSDHPPX-UHFFFAOYSA-N
MW290.14 g/mol
LogP3.01
Rot. Bonds3

About 4-bromo-N-diazo-2-ethylbenzenesulfonamide

4-bromo-N-diazo-2-ethylbenzenesulfonamide (PubChem CID 59235675) has the molecular formula C8H8BrN3O2S and a molecular weight of 290.14 g/mol. Its IUPAC name is 4-bromo-N-diazo-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-diazo-2-ethylbenzenesulfonamide
PubChem CID59235675
Molecular FormulaC8H8BrN3O2S
Molecular Weight290.14 g/mol
Exact Mass288.95
IUPAC Name4-bromo-N-diazo-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C8H8BrN3O2S/c1-2-6-5-7(9)3-4-8(6)15(13,14)12-11-10/h3-5H,2H2,1H3
InChIKeySAQREZIUSDHPPX-UHFFFAOYSA-N
XLogP3.01
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-N-diazo-2-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-diazo-2-ethylbenzenesulfonamide (CID 59235675) is 4-bromo-N-diazo-2-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-diazo-2-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-diazo-2-ethylbenzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 4-bromo-N-diazo-2-ethylbenzenesulfonamide?
The InChIKey is SAQREZIUSDHPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2S/c1-2-6-5-7(9)3-4-8(6)15(13,14)12-11-10/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-N-diazo-2-ethylbenzenesulfonamide?
4-bromo-N-diazo-2-ethylbenzenesulfonamide has a molecular weight of 290.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-diazo-2-ethylbenzenesulfonamide is sourced from PubChem (CID 59235675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).