2-methoxy-5-methylsulfonylbenzoyl azide

C9H9N3O4S — CID 71381109

IUPAC2-methoxy-5-methylsulfonylbenzoyl azide
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C9H9N3O4S/c1-16-8-4-3-6(17(2,14)15)5-7(8)9(13)11-12-10/h3-5H,1-2H3
InChIKeyHNJKWZHEPXWEEL-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.55
Rot. Bonds3

About 2-methoxy-5-methylsulfonylbenzoyl azide

2-methoxy-5-methylsulfonylbenzoyl azide (PubChem CID 71381109) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-methoxy-5-methylsulfonylbenzoyl azide.

Molecular Properties

Compound Name2-methoxy-5-methylsulfonylbenzoyl azide
PubChem CID71381109
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-methoxy-5-methylsulfonylbenzoyl azide
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C9H9N3O4S/c1-16-8-4-3-6(17(2,14)15)5-7(8)9(13)11-12-10/h3-5H,1-2H3
InChIKeyHNJKWZHEPXWEEL-UHFFFAOYSA-N
XLogP1.55
TPSA109.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
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

5-azidosulfonyl-2-methoxybenzamide
CID 43286593
3-[(2-methoxy-5-methylsulfonylbenzoyl)-methylamino]propanoic acid
CID 120687388
1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120684633
2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-3-methylpentanoic acid
CID 120686652
2-fluoro-6-methoxybenzoyl azide
CID 65433072
3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448
2-(2-methoxyethoxy)-5-methylsulfonylbenzoic acid
CID 23503119
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 120686845
2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 120688038
3-ethoxy-1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700548

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylsulfonylbenzoyl azide?
The IUPAC name of 2-methoxy-5-methylsulfonylbenzoyl azide (CID 71381109) is 2-methoxy-5-methylsulfonylbenzoyl azide.
What is the SMILES notation for 2-methoxy-5-methylsulfonylbenzoyl azide?
The canonical SMILES for 2-methoxy-5-methylsulfonylbenzoyl azide is COc1ccc(S(C)(=O)=O)cc1C(=O)N=[N+]=[N-].
What is the InChIKey of 2-methoxy-5-methylsulfonylbenzoyl azide?
The InChIKey is HNJKWZHEPXWEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c1-16-8-4-3-6(17(2,14)15)5-7(8)9(13)11-12-10/h3-5H,1-2H3.
What are the key properties of 2-methoxy-5-methylsulfonylbenzoyl azide?
2-methoxy-5-methylsulfonylbenzoyl azide has a molecular weight of 255.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylsulfonylbenzoyl azide is sourced from PubChem (CID 71381109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).