5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium

C18H14N3O3S+ — CID 6454442

IUPAC5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium
SMILESC=Cc1ccc(NS(=O)(=O)c2cccc3c(O)c([N+]#N)ccc23)cc1
InChIInChI=1S/C18H13N3O3S/c1-2-12-6-8-13(9-7-12)21-25(23,24)17-5-3-4-15-14(17)10-11-16(20-19)18(15)22/h2-11,21H,1H2/p+1
InChIKeyXGPCGXZMYJWHTO-UHFFFAOYSA-O
MW352.40 g/mol
LogP4.47
Rot. Bonds4

About 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium

5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium (PubChem CID 6454442) has the molecular formula C18H14N3O3S+ and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium.

Molecular Properties

Compound Name5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium
PubChem CID6454442
Molecular FormulaC18H14N3O3S+
Molecular Weight352.40 g/mol
Exact Mass352.08
IUPAC Name5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium
SMILESC=Cc1ccc(NS(=O)(=O)c2cccc3c(O)c([N+]#N)ccc23)cc1
InChIInChI=1S/C18H13N3O3S/c1-2-12-6-8-13(9-7-12)21-25(23,24)17-5-3-4-15-14(17)10-11-16(20-19)18(15)22/h2-11,21H,1H2/p+1
InChIKeyXGPCGXZMYJWHTO-UHFFFAOYSA-O
XLogP4.47
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 14670443
5-[4-[2-[4-[1,1-bis[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]ethyl]phenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 101094433
5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide
CID 71378128
5-[4-(2,2-dimethylpropanoyloxy)phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 22892381
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
CID 10992230
5-[4-benzoyl-2,3-bis[(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyl]phenyl]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 101122105
5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium
CID 59288687
sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate
CID 23707139
6-diazonio-5-hydroxynaphthalene-1-sulfinate
CID 97049891
N-phenylnaphthalene-1-sulfonamide
CID 3816137
1-hydroxy-5-[4-[2,3,4-tris[(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxy]benzoyl]phenoxy]sulfonylnaphthalene-2-diazonium
CID 25079880
5-[4-[2-[5-[2-[4-[2-[5-[2-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxyphenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2,4-dihydroxyphenyl]propan-2-yl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 101197148

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium?
The IUPAC name of 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium (CID 6454442) is 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium.
What is the SMILES notation for 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium?
The canonical SMILES for 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium is C=Cc1ccc(NS(=O)(=O)c2cccc3c(O)c([N+]#N)ccc23)cc1.
What is the InChIKey of 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium?
The InChIKey is XGPCGXZMYJWHTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H13N3O3S/c1-2-12-6-8-13(9-7-12)21-25(23,24)17-5-3-4-15-14(17)10-11-16(20-19)18(15)22/h2-11,21H,1H2/p+1.
What are the key properties of 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium?
5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium has a molecular weight of 352.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium is sourced from PubChem (CID 6454442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).