4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium

C16H12N5O7S2+ — CID 136707775

IUPAC4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium
SMILESN#[N+]c1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)ccc(N)c3c2O)cc1
InChIInChI=1S/C16H11N5O7S2/c17-11-5-6-12(29(23,24)25)10-7-13(30(26,27)28)15(16(22)14(10)11)21-20-9-3-1-8(19-18)2-4-9/h1-7H,(H4-,17,20,22,23,24,25,26,27,28)/p+1
InChIKeyYRPCXSSEXHNRGS-UHFFFAOYSA-O
MW450.43 g/mol
LogP3.52
Rot. Bonds4

About 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium

4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium (PubChem CID 136707775) has the molecular formula C16H12N5O7S2+ and a molecular weight of 450.43 g/mol. Its IUPAC name is 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium.

Molecular Properties

Compound Name4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium
PubChem CID136707775
Molecular FormulaC16H12N5O7S2+
Molecular Weight450.43 g/mol
Exact Mass450.02
IUPAC Name4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium
SMILESN#[N+]c1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)ccc(N)c3c2O)cc1
InChIInChI=1S/C16H11N5O7S2/c17-11-5-6-12(29(23,24)25)10-7-13(30(26,27)28)15(16(22)14(10)11)21-20-9-3-1-8(19-18)2-4-9/h1-7H,(H4-,17,20,22,23,24,25,26,27,28)/p+1
InChIKeyYRPCXSSEXHNRGS-UHFFFAOYSA-O
XLogP3.52
TPSA207.86 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 53.52
H-Bond Donors ≤ 54
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': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 170845110
CID 170845110
4-amino-3,6-bis[[4-[(2,4-diamino-5-sulfophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135848712
disodium;4-[[4-[[8-amino-1-hydroxy-7-[[4-[(4-oxidophenyl)diazenyl]phenyl]diazenyl]-3,6-disulfonaphthalen-2-yl]diazenyl]phenyl]diazenyl]phenolate
CID 136785089
4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]benzoic acid
CID 136502364
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 136688709
4-amino-5-hydroxy-6-(methyldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 135854946
4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 148671111
5-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 147506897
7-amino-3-[[4-[4-[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136700319
CID 137221822
CID 137221822
sodium;8-amino-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid;hydride
CID 175238217

Frequently Asked Questions

What is the IUPAC name of 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium?
The IUPAC name of 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium (CID 136707775) is 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium.
What is the SMILES notation for 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium?
The canonical SMILES for 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium is N#[N+]c1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)ccc(N)c3c2O)cc1.
What is the InChIKey of 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium?
The InChIKey is YRPCXSSEXHNRGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H11N5O7S2/c17-11-5-6-12(29(23,24)25)10-7-13(30(26,27)28)15(16(22)14(10)11)21-20-9-3-1-8(19-18)2-4-9/h1-7H,(H4-,17,20,22,23,24,25,26,27,28)/p+1.
What are the key properties of 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium?
4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium has a molecular weight of 450.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-amino-1-hydroxy-3,5-disulfonaphthalen-2-yl)diazenyl]benzenediazonium is sourced from PubChem (CID 136707775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).