7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen

C22H16N4O10S3-2 — CID 161131700

IUPAC7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen
SMILESO=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)[O-])c34)cc2)cc1.[H][H]
InChIInChI=1S/C22H16N4O10S3.H2/c27-19-10-1-13-11-18(38(31,32)33)12-20(39(34,35)36)21(13)22(19)26-25-15-4-2-14(3-5-15)23-24-16-6-8-17(9-7-16)37(28,29)30;/h1-12,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36);1H/p-2/b24-23+,26-25+;
InChIKeyUMGUMJFOSXPTFO-HMNSNYPBSA-L
MW592.59 g/mol
LogP4.68
Rot. Bonds7

About 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen

7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen (PubChem CID 161131700) has the molecular formula C22H16N4O10S3-2 and a molecular weight of 592.59 g/mol. Its IUPAC name is 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen.

Molecular Properties

Compound Name7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen
PubChem CID161131700
Molecular FormulaC22H16N4O10S3-2
Molecular Weight592.59 g/mol
Exact Mass592.00
IUPAC Name7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen
SMILESO=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)[O-])c34)cc2)cc1.[H][H]
InChIInChI=1S/C22H16N4O10S3.H2/c27-19-10-1-13-11-18(38(31,32)33)12-20(39(34,35)36)21(13)22(19)26-25-15-4-2-14(3-5-15)23-24-16-6-8-17(9-7-16)37(28,29)30;/h1-12,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36);1H/p-2/b24-23+,26-25+;
InChIKeyUMGUMJFOSXPTFO-HMNSNYPBSA-L
XLogP4.68
TPSA238.44 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.59
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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'}

Analyze 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonate
CID 169408459
CID 137235002
CID 137235002
sodium 4-[[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate
CID 136502141
7-hydroxy-3-sulfo-8-[[4-[[4-[2-(8-sulfo-6-sulfonatonaphthalen-2-yl)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 158730491
6-oxido-5-[(4-sulfamoylphenyl)diazenyl]-4-sulfonaphthalene-2-sulfonate
CID 102497656
carbanylium;7-hydroxy-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate
CID 160526202
pentaazanium;pentadecasodium;tetrakis(7-hydroxy-8-[[4-[(3-phosphonatophenyl)diazenyl]-2-sulfonatophenyl]diazenyl]naphthalene-1,3-disulfonate)
CID 136633648
disodium 8-{[4-(cyclohexyl{4-[(4-hydroxyphenyl)diazenyl]phenyl}methyl)phenyl]diazenyl}-7-hydroxy-1,3-naphthalenedisulfonate
CID 137228306
trisodium;8-hydroxy-7-[[4-[4-[(2-hydroxy-8-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
CID 2753299
5-amino-4-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonaphthalene-2-sulfonate;molecular hydrogen
CID 159274749
sodium 7-hydroxy-8-[[2-methyl-4-[(2-methyl-4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 156676683
trisodium;8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
CID 135462996

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen?
The IUPAC name of 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen (CID 161131700) is 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen.
What is the SMILES notation for 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen?
The canonical SMILES for 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen is O=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)[O-])c34)cc2)cc1.[H][H].
What is the InChIKey of 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen?
The InChIKey is UMGUMJFOSXPTFO-HMNSNYPBSA-L. The full InChI is InChI=1S/C22H16N4O10S3.H2/c27-19-10-1-13-11-18(38(31,32)33)12-20(39(34,35)36)21(13)22(19)26-25-15-4-2-14(3-5-15)23-24-16-6-8-17(9-7-16)37(28,29)30;/h1-12,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36);1H/p-2/b24-23+,26-25+;.
What are the key properties of 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen?
7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen has a molecular weight of 592.59 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-sulfo-8-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate;molecular hydrogen is sourced from PubChem (CID 161131700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).