2-methoxy-4-(N-sulfoanilino)benzenediazonium

C13H12N3O4S+ — CID 18916267

IUPAC2-methoxy-4-(N-sulfoanilino)benzenediazonium
SMILESCOc1cc(N(c2ccccc2)S(=O)(=O)O)ccc1[N+]#N
InChIInChI=1S/C13H11N3O4S/c1-20-13-9-11(7-8-12(13)15-14)16(21(17,18)19)10-5-3-2-4-6-10/h2-9H,1H3/p+1
InChIKeyHFNIJQCFZXYARF-UHFFFAOYSA-O
MW306.32 g/mol
LogP3.12
Rot. Bonds4

About 2-methoxy-4-(N-sulfoanilino)benzenediazonium

2-methoxy-4-(N-sulfoanilino)benzenediazonium (PubChem CID 18916267) has the molecular formula C13H12N3O4S+ and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-methoxy-4-(N-sulfoanilino)benzenediazonium.

Molecular Properties

Compound Name2-methoxy-4-(N-sulfoanilino)benzenediazonium
PubChem CID18916267
Molecular FormulaC13H12N3O4S+
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name2-methoxy-4-(N-sulfoanilino)benzenediazonium
SMILESCOc1cc(N(c2ccccc2)S(=O)(=O)O)ccc1[N+]#N
InChIInChI=1S/C13H11N3O4S/c1-20-13-9-11(7-8-12(13)15-14)16(21(17,18)19)10-5-3-2-4-6-10/h2-9H,1H3/p+1
InChIKeyHFNIJQCFZXYARF-UHFFFAOYSA-O
XLogP3.12
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.12
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

4-anilino-2-methoxybenzenediazonium bromide
CID 19770680
anisole;molecular nitrogen;sulfuric acid
CID 174681459
2-methoxybenzenediazonium chloride
CID 10920957
2-methoxy-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methoxy-4-sulfophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonic acid
CID 90380756
hydrogen sulfate;4-(N-methoxyanilino)benzenediazonium
CID 87981415
(4,6-difluoro-1,3,5-triazin-2-yl)-phenylsulfamic acid
CID 19878640
5-(dimethylamino)-2-methoxybenzenediazonium
CID 57013987
4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide
CID 59842978
2-(3,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127834
N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide
CID 71497196
N-[5-(diphenylsulfamoyl)-2,4-dimethoxyphenyl]acetamide
CID 71497194
4-anilino-2-methoxybenzenediazonium;benzyl ethenyl sulfate
CID 22141896

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(N-sulfoanilino)benzenediazonium?
The IUPAC name of 2-methoxy-4-(N-sulfoanilino)benzenediazonium (CID 18916267) is 2-methoxy-4-(N-sulfoanilino)benzenediazonium.
What is the SMILES notation for 2-methoxy-4-(N-sulfoanilino)benzenediazonium?
The canonical SMILES for 2-methoxy-4-(N-sulfoanilino)benzenediazonium is COc1cc(N(c2ccccc2)S(=O)(=O)O)ccc1[N+]#N.
What is the InChIKey of 2-methoxy-4-(N-sulfoanilino)benzenediazonium?
The InChIKey is HFNIJQCFZXYARF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11N3O4S/c1-20-13-9-11(7-8-12(13)15-14)16(21(17,18)19)10-5-3-2-4-6-10/h2-9H,1H3/p+1.
What are the key properties of 2-methoxy-4-(N-sulfoanilino)benzenediazonium?
2-methoxy-4-(N-sulfoanilino)benzenediazonium has a molecular weight of 306.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(N-sulfoanilino)benzenediazonium is sourced from PubChem (CID 18916267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).