8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

C16H13N3O6S2 — CID 87409528

IUPAC8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESNc1ccc(/N=N/c2cccc(S(=O)(=O)O)c2)c2ccc(S(=O)(=O)O)cc12
InChIInChI=1S/C16H13N3O6S2/c17-15-6-7-16(13-5-4-12(9-14(13)15)27(23,24)25)19-18-10-2-1-3-11(8-10)26(20,21)22/h1-9H,17H2,(H,20,21,22)(H,23,24,25)/b19-18+
InChIKeyKUXQFYIBEXREJP-VHEBQXMUSA-N
MW407.43 g/mol
LogP3.33
Rot. Bonds4

About 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 87409528) has the molecular formula C16H13N3O6S2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID87409528
Molecular FormulaC16H13N3O6S2
Molecular Weight407.43 g/mol
Exact Mass407.02
IUPAC Name8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESNc1ccc(/N=N/c2cccc(S(=O)(=O)O)c2)c2ccc(S(=O)(=O)O)cc12
InChIInChI=1S/C16H13N3O6S2/c17-15-6-7-16(13-5-4-12(9-14(13)15)27(23,24)25)19-18-10-2-1-3-11(8-10)26(20,21)22/h1-9H,17H2,(H,20,21,22)(H,23,24,25)/b19-18+
InChIKeyKUXQFYIBEXREJP-VHEBQXMUSA-N
XLogP3.33
TPSA159.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
[3-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]-oxido-oxophosphanium
CID 139649873
CID 170845569
CID 170845569
4-[[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 170961674
3-[(4-amino-6-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 162662188
sodium 8-amino-5-[[4-[(E)-2-[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 54599676
3-[(2,4-diaminophenyl)diazenyl]benzenesulfonic acid
CID 20764494
5-[(4-amino-7-methylsulfonylnaphthalen-1-yl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 88888496
sodium 4-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenolate
CID 102267652
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
8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 162697049

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (CID 87409528) is 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is Nc1ccc(/N=N/c2cccc(S(=O)(=O)O)c2)c2ccc(S(=O)(=O)O)cc12.
What is the InChIKey of 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is KUXQFYIBEXREJP-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O6S2/c17-15-6-7-16(13-5-4-12(9-14(13)15)27(23,24)25)19-18-10-2-1-3-11(8-10)26(20,21)22/h1-9H,17H2,(H,20,21,22)(H,23,24,25)/b19-18+.
What are the key properties of 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 407.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 87409528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).