5-azidosulfonyl-2-methoxybenzamide

C8H8N4O4S — CID 43286593

IUPAC5-azidosulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N=[N+]=[N-])cc1C(N)=O
InChIInChI=1S/C8H8N4O4S/c1-16-7-3-2-5(4-6(7)8(9)13)17(14,15)12-11-10/h2-4H,1H3,(H2,9,13)
InChIKeyJGOSRHNCQHHGID-UHFFFAOYSA-N
MW256.24 g/mol
LogP0.79
Rot. Bonds4

About 5-azidosulfonyl-2-methoxybenzamide

5-azidosulfonyl-2-methoxybenzamide (PubChem CID 43286593) has the molecular formula C8H8N4O4S and a molecular weight of 256.24 g/mol. Its IUPAC name is 5-azidosulfonyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-azidosulfonyl-2-methoxybenzamide
PubChem CID43286593
Molecular FormulaC8H8N4O4S
Molecular Weight256.24 g/mol
Exact Mass256.03
IUPAC Name5-azidosulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N=[N+]=[N-])cc1C(N)=O
InChIInChI=1S/C8H8N4O4S/c1-16-7-3-2-5(4-6(7)8(9)13)17(14,15)12-11-10/h2-4H,1H3,(H2,9,13)
InChIKeyJGOSRHNCQHHGID-UHFFFAOYSA-N
XLogP0.79
TPSA135.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
5-azidosulfonyl-2-azidosulfonyloxybenzoic acid
CID 88815060
5-sulfamoyl-2-(trideuteriomethoxy)benzamide
CID 162641561
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
2-methoxy-5-methylsulfonylbenzoyl azide
CID 71381109
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
2-methoxy-5-[methyl(prop-2-enyl)sulfamoyl]benzamide
CID 146024512
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115

Frequently Asked Questions

What is the IUPAC name of 5-azidosulfonyl-2-methoxybenzamide?
The IUPAC name of 5-azidosulfonyl-2-methoxybenzamide (CID 43286593) is 5-azidosulfonyl-2-methoxybenzamide.
What is the SMILES notation for 5-azidosulfonyl-2-methoxybenzamide?
The canonical SMILES for 5-azidosulfonyl-2-methoxybenzamide is COc1ccc(S(=O)(=O)N=[N+]=[N-])cc1C(N)=O.
What is the InChIKey of 5-azidosulfonyl-2-methoxybenzamide?
The InChIKey is JGOSRHNCQHHGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4S/c1-16-7-3-2-5(4-6(7)8(9)13)17(14,15)12-11-10/h2-4H,1H3,(H2,9,13).
What are the key properties of 5-azidosulfonyl-2-methoxybenzamide?
5-azidosulfonyl-2-methoxybenzamide has a molecular weight of 256.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azidosulfonyl-2-methoxybenzamide is sourced from PubChem (CID 43286593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).