disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate

C48H34N8Na2O16S4 — CID 170840251

IUPACdisodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate
SMILESCS(=O)(=O)c1ccc([O-])c(/N=N/c2c(O)cc3ccc(NC(=O)c4ccc(/N=N/c5ccc(C(=O)Nc6ccc7cc(O)c(/N=N/c8cc(S(C)(=O)=O)ccc8[O-])c(S(=O)(=O)O)c7c6)cc5)cc4)cc3c2S(=O)(=O)O)c1.[Na+].[Na+]
InChIInChI=1S/C48H36N8O16S4.2Na/c1-73(63,64)33-15-17-39(57)37(23-33)53-55-43-41(59)19-27-7-13-31(21-35(27)45(43)75(67,68)69)49-47(61)25-3-9-29(10-4-25)51-52-30-11-5-26(6-12-30)48(62)50-32-14-8-28-20-42(60)44(46(36(28)22-32)76(70,71)72)56-54-38-24-34(74(2,65)66)16-18-40(38)58;;/h3-24,57-60H,1-2H3,(H,49,61)(H,50,62)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/b52-51+,55-53+,56-54+;;
InChIKeyKEPAGNGYQPBYLN-DUENKZOMSA-L
MW1153.09 g/mol
LogP2.61
Rot. Bonds14

About disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate

disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate (PubChem CID 170840251) has the molecular formula C48H34N8Na2O16S4 and a molecular weight of 1153.09 g/mol. Its IUPAC name is disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate.

Molecular Properties

Compound Namedisodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate
PubChem CID170840251
Molecular FormulaC48H34N8Na2O16S4
Molecular Weight1153.09 g/mol
Exact Mass1152.08
IUPAC Namedisodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate
SMILESCS(=O)(=O)c1ccc([O-])c(/N=N/c2c(O)cc3ccc(NC(=O)c4ccc(/N=N/c5ccc(C(=O)Nc6ccc7cc(O)c(/N=N/c8cc(S(C)(=O)=O)ccc8[O-])c(S(=O)(=O)O)c7c6)cc5)cc4)cc3c2S(=O)(=O)O)c1.[Na+].[Na+]
InChIInChI=1S/C48H36N8O16S4.2Na/c1-73(63,64)33-15-17-39(57)37(23-33)53-55-43-41(59)19-27-7-13-31(21-35(27)45(43)75(67,68)69)49-47(61)25-3-9-29(10-4-25)51-52-30-11-5-26(6-12-30)48(62)50-32-14-8-28-20-42(60)44(46(36(28)22-32)76(70,71)72)56-54-38-24-34(74(2,65)66)16-18-40(38)58;;/h3-24,57-60H,1-2H3,(H,49,61)(H,50,62)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/b52-51+,55-53+,56-54+;;
InChIKeyKEPAGNGYQPBYLN-DUENKZOMSA-L
XLogP2.61
TPSA395.96 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.09
LogP ≤ 52.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

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 disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate 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

disodium;7-[[4-[(8-oxido-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]-2-phenyldiazenyl-3-sulfonaphthalen-1-olate
CID 101227538
sodium 7-[[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-methylphenyl]diazenyl]-4-hydroxy-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
CID 135422260
sodium 5-hydroxy-2-[(2-hydroxy-5-sulfophenyl)diazenyl]-4-[[4-[[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]phenolate
CID 170846206
CID 170843193
CID 170843193
CID 170845603
CID 170845603
7-[[4-[[5-[(4-benzamidobenzoyl)amino]-2-methylphenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
CID 71440542
7-hydroxy-3-sulfo-8-[[4-[[4-[2-(8-sulfo-6-sulfonatonaphthalen-2-yl)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 158730491
7-[(4-aminobenzoyl)amino]-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 143799559
7-benzamido-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 136775141
disodium;7-[[4-[(4-amino-2-methylphenyl)diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate
CID 21343292
disodium;6-[[3-[(5-oxido-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]-2-phenyldiazenyl-3-sulfonaphthalen-1-olate
CID 101227787
4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 177409198

Frequently Asked Questions

What is the IUPAC name of disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate?
The IUPAC name of disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate (CID 170840251) is disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate.
What is the SMILES notation for disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate?
The canonical SMILES for disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate is CS(=O)(=O)c1ccc([O-])c(/N=N/c2c(O)cc3ccc(NC(=O)c4ccc(/N=N/c5ccc(C(=O)Nc6ccc7cc(O)c(/N=N/c8cc(S(C)(=O)=O)ccc8[O-])c(S(=O)(=O)O)c7c6)cc5)cc4)cc3c2S(=O)(=O)O)c1.[Na+].[Na+].
What is the InChIKey of disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate?
The InChIKey is KEPAGNGYQPBYLN-DUENKZOMSA-L. The full InChI is InChI=1S/C48H36N8O16S4.2Na/c1-73(63,64)33-15-17-39(57)37(23-33)53-55-43-41(59)19-27-7-13-31(21-35(27)45(43)75(67,68)69)49-47(61)25-3-9-29(10-4-25)51-52-30-11-5-26(6-12-30)48(62)50-32-14-8-28-20-42(60)44(46(36(28)22-32)76(70,71)72)56-54-38-24-34(74(2,65)66)16-18-40(38)58;;/h3-24,57-60H,1-2H3,(H,49,61)(H,50,62)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2/b52-51+,55-53+,56-54+;;.
What are the key properties of disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate?
disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate has a molecular weight of 1153.09 g/mol, XLogP of 2.61, 14 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[[3-hydroxy-7-[[4-[[4-[[6-hydroxy-7-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-8-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]-1-sulfonaphthalen-2-yl]diazenyl]-4-methylsulfonylphenolate is sourced from PubChem (CID 170840251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).