disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate

C28H20N6Na2O7S2 — CID 21118095

IUPACdisodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate
SMILESCC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1.[Na+].[Na+]
InChIInChI=1S/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-28-13-12-26(22-9-7-20(15-24(22)28)43(39,40)41)33-34-27-11-10-25(29)21-8-6-19(14-23(21)27)42(36,37)38;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b32-31+,34-33+;;
InChIKeyINVVMWRABJZLHD-DUCFOALUSA-L
MW662.62 g/mol
LogP0.18
Rot. Bonds7

About disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate

disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate (PubChem CID 21118095) has the molecular formula C28H20N6Na2O7S2 and a molecular weight of 662.62 g/mol. Its IUPAC name is disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate.

Molecular Properties

Compound Namedisodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate
PubChem CID21118095
Molecular FormulaC28H20N6Na2O7S2
Molecular Weight662.62 g/mol
Exact Mass662.06
IUPAC Namedisodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate
SMILESCC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1.[Na+].[Na+]
InChIInChI=1S/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-28-13-12-26(22-9-7-20(15-24(22)28)43(39,40)41)33-34-27-11-10-25(29)21-8-6-19(14-23(21)27)42(36,37)38;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b32-31+,34-33+;;
InChIKeyINVVMWRABJZLHD-DUCFOALUSA-L
XLogP0.18
TPSA218.96 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.62
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate 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 8-amino-5-[[4-(4-hydroxyphenyl)phenyl]diazenyl]naphthalene-2-sulfonate
CID 135488966
5-[(4-amino-7-methylsulfonylnaphthalen-1-yl)diazenyl]-8-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 88888496
tetrasodium;5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
CID 102532596
dilithium;5-[(4-methylphenyl)diazenyl]-8-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
CID 59248222
sodium 3-[(4-acetamidophenyl)diazenyl]-4-amino-5-hydroxy-6-phenyldiazenylnaphthalene-1-sulfonate
CID 135666601
4-[[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]benzoic acid
CID 170961674
tetrasodium;4-acetamido-5-oxido-7-sulfo-6-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
CID 170839376
N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide
CID 29045
tetrasodium;3-[[4-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonate
CID 171391234
5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
CID 146870314
disodium;8-[[4-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-5-[(2,4-diaminophenyl)diazenyl]naphthalene-2-sulfonate
CID 165362993
3-amino-5-oxido-7-sulfo-6-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonate;tetramethylazanium
CID 170852705

Frequently Asked Questions

What is the IUPAC name of disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate?
The IUPAC name of disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate (CID 21118095) is disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate.
What is the SMILES notation for disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate?
The canonical SMILES for disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate is CC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)cc1.[Na+].[Na+].
What is the InChIKey of disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate?
The InChIKey is INVVMWRABJZLHD-DUCFOALUSA-L. The full InChI is InChI=1S/C28H22N6O7S2.2Na/c1-16(35)30-17-2-4-18(5-3-17)31-32-28-13-12-26(22-9-7-20(15-24(22)28)43(39,40)41)33-34-27-11-10-25(29)21-8-6-19(14-23(21)27)42(36,37)38;;/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b32-31+,34-33+;;.
What are the key properties of disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate?
disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate has a molecular weight of 662.62 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate is sourced from PubChem (CID 21118095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).