3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate

C16H10N2O7S2-2 — CID 3947723

IUPAC3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccccc3)c(O)c(S(=O)(=O)[O-])cc2c1
InChIInChI=1S/C16H12N2O7S2/c19-16-14(27(23,24)25)9-10-8-12(26(20,21)22)6-7-13(10)15(16)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/p-2/b18-17+
InChIKeyUWCKWDYDKZIRGN-ISLYRVAYSA-L
MW406.40 g/mol
LogP2.77
Rot. Bonds4

About 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate

3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate (PubChem CID 3947723) has the molecular formula C16H10N2O7S2-2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate.

Molecular Properties

Compound Name3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
PubChem CID3947723
Molecular FormulaC16H10N2O7S2-2
Molecular Weight406.40 g/mol
Exact Mass405.99
IUPAC Name3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccccc3)c(O)c(S(=O)(=O)[O-])cc2c1
InChIInChI=1S/C16H12N2O7S2/c19-16-14(27(23,24)25)9-10-8-12(26(20,21)22)6-7-13(10)15(16)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/p-2/b18-17+
InChIKeyUWCKWDYDKZIRGN-ISLYRVAYSA-L
XLogP2.77
TPSA159.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

tetrasodium;4-[(2-arsonatophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
CID 172688639
sodium 5-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2-sulfonate
CID 135482636
3-hydroxy-7-sulfo-4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 162315735
sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
CID 135570888
sodium 5-[(2-carboxyphenyl)diazenyl]-6-hydroxy-7-sulfonaphthalene-2-sulfonate
CID 136502137
tetrasodium;2-[[4-[[4-[(6-anilino-2-hydroxy-3-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate
CID 17263
trilithium;3-hydroxy-4-(4H-naphthalen-4-id-1-yldiazenyl)naphthalene-2,7-disulfonate;sulfur trioxide
CID 160673317
trisodium;6-oxido-5-[(4-oxidophenyl)diazenyl]-7-sulfonaphthalene-2-sulfonate
CID 101076731
4-[(4-tert-butylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136912425
trisodium;6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
CID 135565092
sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
CID 169408459
barium(2+);4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
CID 135853581

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate?
The IUPAC name of 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate (CID 3947723) is 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate.
What is the SMILES notation for 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate?
The canonical SMILES for 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate is O=S(=O)([O-])c1ccc2c(/N=N/c3ccccc3)c(O)c(S(=O)(=O)[O-])cc2c1.
What is the InChIKey of 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate?
The InChIKey is UWCKWDYDKZIRGN-ISLYRVAYSA-L. The full InChI is InChI=1S/C16H12N2O7S2/c19-16-14(27(23,24)25)9-10-8-12(26(20,21)22)6-7-13(10)15(16)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/p-2/b18-17+.
What are the key properties of 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate?
3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate has a molecular weight of 406.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate is sourced from PubChem (CID 3947723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).