5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid

C15H13N3O5S — CID 4076883

IUPAC5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESC=CNS(=O)(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H13N3O5S/c1-2-16-24(22,23)12-6-3-10(4-7-12)17-18-11-5-8-14(19)13(9-11)15(20)21/h2-9,16,19H,1H2,(H,20,21)/b18-17+
InChIKeyBJFMWDQFKYLHQJ-ISLYRVAYSA-N
MW347.35 g/mol
LogP2.93
Rot. Bonds6

About 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid

5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid (PubChem CID 4076883) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
PubChem CID4076883
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESC=CNS(=O)(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H13N3O5S/c1-2-16-24(22,23)12-6-3-10(4-7-12)17-18-11-5-8-14(19)13(9-11)15(20)21/h2-9,16,19H,1H2,(H,20,21)/b18-17+
InChIKeyBJFMWDQFKYLHQJ-ISLYRVAYSA-N
XLogP2.93
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 3746741
5-[[4-(3-carboxypropanoylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
CID 135423090
5-[[4-[[2,4-diamino-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136917462
5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080
CID 170854418
CID 170854418
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
CID 174831495
CID 170844913
CID 170844913
CID 137177090
CID 137177090
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609205
4-[(4-hydroxy-3-propanoylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 167078695

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid (CID 4076883) is 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid is C=CNS(=O)(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid?
The InChIKey is BJFMWDQFKYLHQJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-2-16-24(22,23)12-6-3-10(4-7-12)17-18-11-5-8-14(19)13(9-11)15(20)21/h2-9,16,19H,1H2,(H,20,21)/b18-17+.
What are the key properties of 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid?
5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid has a molecular weight of 347.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethenylsulfamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 4076883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).