2-methoxy-5-sulfobenzenediazonium

C7H7N2O4S+ — CID 134929744

IUPAC2-methoxy-5-sulfobenzenediazonium
SMILESCOc1ccc(S(=O)(=O)O)cc1[N+]#N
InChIInChI=1S/C7H6N2O4S/c1-13-7-3-2-5(14(10,11)12)4-6(7)9-8/h2-4H,1H3/p+1
InChIKeyHWYSARMZXYIVHK-UHFFFAOYSA-O
MW215.21 g/mol
LogP1.43
Rot. Bonds2

About 2-methoxy-5-sulfobenzenediazonium

2-methoxy-5-sulfobenzenediazonium (PubChem CID 134929744) has the molecular formula C7H7N2O4S+ and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-methoxy-5-sulfobenzenediazonium.

Molecular Properties

Compound Name2-methoxy-5-sulfobenzenediazonium
PubChem CID134929744
Molecular FormulaC7H7N2O4S+
Molecular Weight215.21 g/mol
Exact Mass215.01
IUPAC Name2-methoxy-5-sulfobenzenediazonium
SMILESCOc1ccc(S(=O)(=O)O)cc1[N+]#N
InChIInChI=1S/C7H6N2O4S/c1-13-7-3-2-5(14(10,11)12)4-6(7)9-8/h2-4H,1H3/p+1
InChIKeyHWYSARMZXYIVHK-UHFFFAOYSA-O
XLogP1.43
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxybenzenesulfonic acid;molecular nitrogen
CID 175429232
calcium;3,4-dimethoxybenzenesulfonic acid;hydride
CID 174743928
4-methoxybenzene-1,3-disulfonic acid
CID 54483925
2-diazonio-4-sulfophenolate
CID 15131536
3-bromo-4-methoxybenzenesulfonic acid;hydrochloride
CID 174435857
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
3-amino-4-methoxybenzenesulfonic acid;3-amino-4-methylbenzenesulfonic acid
CID 19877100
2-methoxy-5-(3-sulfophenyl)sulfonylbenzenesulfonic acid
CID 89324954
calcium;hydride;4-hydroxy-3-methoxybenzenesulfonic acid
CID 174743804
4-amino-3,5-dimethoxybenzenesulfonic acid
CID 139685863
4-methoxy-3-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonic acid
CID 89270814
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-sulfobenzenediazonium?
The IUPAC name of 2-methoxy-5-sulfobenzenediazonium (CID 134929744) is 2-methoxy-5-sulfobenzenediazonium.
What is the SMILES notation for 2-methoxy-5-sulfobenzenediazonium?
The canonical SMILES for 2-methoxy-5-sulfobenzenediazonium is COc1ccc(S(=O)(=O)O)cc1[N+]#N.
What is the InChIKey of 2-methoxy-5-sulfobenzenediazonium?
The InChIKey is HWYSARMZXYIVHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6N2O4S/c1-13-7-3-2-5(14(10,11)12)4-6(7)9-8/h2-4H,1H3/p+1.
What are the key properties of 2-methoxy-5-sulfobenzenediazonium?
2-methoxy-5-sulfobenzenediazonium has a molecular weight of 215.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-sulfobenzenediazonium is sourced from PubChem (CID 134929744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).