5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

C19H15N5O5S3 — CID 171716520

IUPAC5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
SMILESNc1ccc(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C19H15N5O5S3/c20-17-7-8-18(16-11-14(32(27,28)29)5-6-15(16)17)23-22-12-1-3-13(4-2-12)31(25,26)24-19-21-9-10-30-19/h1-11H,20H2,(H,21,24)(H,27,28,29)/b23-22+
InChIKeyJPAXXTLSPPHXQX-GHVJWSGMSA-N
MW489.56 g/mol
LogP4.34
Rot. Bonds6

About 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid (PubChem CID 171716520) has the molecular formula C19H15N5O5S3 and a molecular weight of 489.56 g/mol. Its IUPAC name is 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
PubChem CID171716520
Molecular FormulaC19H15N5O5S3
Molecular Weight489.56 g/mol
Exact Mass489.02
IUPAC Name5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
SMILESNc1ccc(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C19H15N5O5S3/c20-17-7-8-18(16-11-14(32(27,28)29)5-6-15(16)17)23-22-12-1-3-13(4-2-12)31(25,26)24-19-21-9-10-30-19/h1-11H,20H2,(H,21,24)(H,27,28,29)/b23-22+
InChIKeyJPAXXTLSPPHXQX-GHVJWSGMSA-N
XLogP4.34
TPSA164.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-[(4-amino-7-methylsulfonylnaphthalen-1-yl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 88888496
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528
5-amino-8-[[4-[(Z)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 125125346
5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 10010342
4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
CID 174831495
5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
CID 146870314
4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 136740266
4-amino-3-[[4-[4-[(2-amino-5-sulfophenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonic acid
CID 11115006
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
sodium 7-amino-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]-3-sulfonaphthalen-1-olate
CID 101323668
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 5475797

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid (CID 171716520) is 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid is Nc1ccc(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cc(S(=O)(=O)O)ccc12.
What is the InChIKey of 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is JPAXXTLSPPHXQX-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H15N5O5S3/c20-17-7-8-18(16-11-14(32(27,28)29)5-6-15(16)17)23-22-12-1-3-13(4-2-12)31(25,26)24-19-21-9-10-30-19/h1-11H,20H2,(H,21,24)(H,27,28,29)/b23-22+.
What are the key properties of 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid?
5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 489.56 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 171716520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).