copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid

C19H18CuN2O13S4 — CID 135974224

IUPACcopper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid
SMILESCCCS(=O)(=O)c1ccc(O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2O)c1.[Cu]
InChIInChI=1S/C19H18N2O13S4.Cu/c1-2-5-35(24,25)11-3-4-14(22)13(8-11)20-21-18-16(38(32,33)34)7-10-6-12(36(26,27)28)9-15(37(29,30)31)17(10)19(18)23;/h3-4,6-9,22-23H,2,5H2,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);/b21-20+;
InChIKeyQGGAMRFAAGUDCO-ANVLNOONSA-N
MW674.17 g/mol
LogP2.59
Rot. Bonds8

About copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid

copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid (PubChem CID 135974224) has the molecular formula C19H18CuN2O13S4 and a molecular weight of 674.17 g/mol. Its IUPAC name is copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid.

Molecular Properties

Compound Namecopper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid
PubChem CID135974224
Molecular FormulaC19H18CuN2O13S4
Molecular Weight674.17 g/mol
Exact Mass672.90
IUPAC Namecopper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid
SMILESCCCS(=O)(=O)c1ccc(O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2O)c1.[Cu]
InChIInChI=1S/C19H18N2O13S4.Cu/c1-2-5-35(24,25)11-3-4-14(22)13(8-11)20-21-18-16(38(32,33)34)7-10-6-12(36(26,27)28)9-15(37(29,30)31)17(10)19(18)23;/h3-4,6-9,22-23H,2,5H2,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);/b21-20+;
InChIKeyQGGAMRFAAGUDCO-ANVLNOONSA-N
XLogP2.59
TPSA262.43 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.17
LogP ≤ 52.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

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 copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid 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

7-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]-8-hydroxy-6-sulfinonaphthalene-1,3-disulfonic acid
CID 136607030
copper;ethane;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]-5,7-bis(trihydroxy-λ4-sulfanyl)naphthalene-2-sulfonic acid;propane
CID 159954084
4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 163411937
disodium;4,5-dihydroxy-3-[(2-hydroxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid;hydride
CID 173457469
CID 156592425
CID 156592425
CID 137221871
CID 137221871
copper;4-hydroxy-3-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-(3-sulfopropanoylamino)naphthalene-2-sulfonic acid
CID 160789368
5-[[2,4-dihydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[[2-sulfo-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 136633068
trisodium;4,5-dihydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 170919803
8-hydroxy-7-[[2-methoxy-5-methyl-4-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
CID 136600445
5-acetamido-3-[[5-[2-(diethylamino)ethylsulfonyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135730778
sodium 3-[[4-(ethylamino)phenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
CID 135421847

Frequently Asked Questions

What is the IUPAC name of copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid?
The IUPAC name of copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid (CID 135974224) is copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid.
What is the SMILES notation for copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid?
The canonical SMILES for copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid is CCCS(=O)(=O)c1ccc(O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2O)c1.[Cu].
What is the InChIKey of copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid?
The InChIKey is QGGAMRFAAGUDCO-ANVLNOONSA-N. The full InChI is InChI=1S/C19H18N2O13S4.Cu/c1-2-5-35(24,25)11-3-4-14(22)13(8-11)20-21-18-16(38(32,33)34)7-10-6-12(36(26,27)28)9-15(37(29,30)31)17(10)19(18)23;/h3-4,6-9,22-23H,2,5H2,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);/b21-20+;.
What are the key properties of copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid?
copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid has a molecular weight of 674.17 g/mol, XLogP of 2.59, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;8-hydroxy-7-[(2-hydroxy-5-propylsulfonylphenyl)diazenyl]naphthalene-1,3,6-trisulfonic acid is sourced from PubChem (CID 135974224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).