5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid

C12H10N2O12S4 — CID 178182870

IUPAC5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid
SMILESO=S(=O)(O)c1cc(/N=N/c2ccccc2)c(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O
InChIInChI=1S/C12H10N2O12S4/c15-27(16,17)9-6-8(14-13-7-4-2-1-3-5-7)10(28(18,19)20)12(30(24,25)26)11(9)29(21,22)23/h1-6H,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)/b14-13+
InChIKeyGMOCNGFCTJYGLG-BUHFOSPRSA-N
MW502.48 g/mol
LogP1.09
Rot. Bonds6

About 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid

5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid (PubChem CID 178182870) has the molecular formula C12H10N2O12S4 and a molecular weight of 502.48 g/mol. Its IUPAC name is 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid.

Molecular Properties

Compound Name5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid
PubChem CID178182870
Molecular FormulaC12H10N2O12S4
Molecular Weight502.48 g/mol
Exact Mass501.91
IUPAC Name5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid
SMILESO=S(=O)(O)c1cc(/N=N/c2ccccc2)c(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O
InChIInChI=1S/C12H10N2O12S4/c15-27(16,17)9-6-8(14-13-7-4-2-1-3-5-7)10(28(18,19)20)12(30(24,25)26)11(9)29(21,22)23/h1-6H,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)/b14-13+
InChIKeyGMOCNGFCTJYGLG-BUHFOSPRSA-N
XLogP1.09
TPSA242.20 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.48
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(methylamino)-5-phenyldiazenylbenzenesulfonic acid
CID 58820481
3-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid
CID 87303681
5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid
CID 3019151
2-[(1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfonaphthalen-2-yl)diazenyl]-5-hydroxy-6-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,7-disulfonic acid
CID 137130409
3-[[4-[(2-amino-5-hydroxyphenyl)diazenyl]phenyl]diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136855575
4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 102244456
2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid
CID 149301473
4-amino-5-hydroxy-6-(methyldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 135854946
5-hydroxy-2-phenyldiazenylbenzenesulfonamide
CID 137184602
4-amino-3-[[4-[2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethynyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 2750502
2-(2-hydroxy-3-phenyldiazenyl-5-sulfophenyl)benzoic acid
CID 175871554
2-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzoic acid
CID 136640607

Frequently Asked Questions

What is the IUPAC name of 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid?
The IUPAC name of 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid (CID 178182870) is 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid.
What is the SMILES notation for 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid?
The canonical SMILES for 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid is O=S(=O)(O)c1cc(/N=N/c2ccccc2)c(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O.
What is the InChIKey of 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid?
The InChIKey is GMOCNGFCTJYGLG-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O12S4/c15-27(16,17)9-6-8(14-13-7-4-2-1-3-5-7)10(28(18,19)20)12(30(24,25)26)11(9)29(21,22)23/h1-6H,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)/b14-13+.
What are the key properties of 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid?
5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid has a molecular weight of 502.48 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid is sourced from PubChem (CID 178182870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).