6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid

C23H18N4O11S3 — CID 135573290

IUPAC6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid
SMILESNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(NC(=O)c2ccccc2S(=O)(=O)O)cc1S(=O)(=O)O
InChIInChI=1S/C23H18N4O11S3/c24-16-7-5-12-9-14(39(30,31)32)11-18(28)21(12)22(16)27-26-17-8-6-13(10-20(17)41(36,37)38)25-23(29)15-3-1-2-4-19(15)40(33,34)35/h1-11,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)/b27-26+
InChIKeyNBQVLCXDBLXWMO-CYYJNZCTSA-N
MW622.62 g/mol
LogP3.54
Rot. Bonds7

About 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid

6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid (PubChem CID 135573290) has the molecular formula C23H18N4O11S3 and a molecular weight of 622.62 g/mol. Its IUPAC name is 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid
PubChem CID135573290
Molecular FormulaC23H18N4O11S3
Molecular Weight622.62 g/mol
Exact Mass622.01
IUPAC Name6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid
SMILESNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(NC(=O)c2ccccc2S(=O)(=O)O)cc1S(=O)(=O)O
InChIInChI=1S/C23H18N4O11S3/c24-16-7-5-12-9-14(39(30,31)32)11-18(28)21(12)22(16)27-26-17-8-6-13(10-20(17)41(36,37)38)25-23(29)15-3-1-2-4-19(15)40(33,34)35/h1-11,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)/b27-26+
InChIKeyNBQVLCXDBLXWMO-CYYJNZCTSA-N
XLogP3.54
TPSA263.18 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500622.62
LogP ≤ 53.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic 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

6-amino-5-[[4-[[4-chloro-6-(4-methylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136634101
CID 170846621
CID 170846621
diazanium;5-[[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]benzene-1,3-dicarboxylic acid
CID 136786560
6-amino-5-[[4-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137194224
tetrasodium;6-amino-5-[[4-[[[4-[(2-amino-8-oxido-6-sulfonaphthalen-1-yl)diazenyl]-3-sulfoanilino]-oxidomethylidene]amino]-2-sulfophenyl]diazenyl]-4-oxidonaphthalene-2-sulfonate
CID 136863147
CID 170853974
CID 170853974
sodium 5-[[2-[(4-acetamidophenyl)-phenylsulfamoyl]phenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonate
CID 135765401
4-[[6-amino-5-[[2-[4-[(2-chloroacetyl)amino]phenoxy]sulfonylphenyl]diazenyl]-4-hydroxynaphthalen-2-yl]sulfonyl-ethylamino]benzenesulfonic acid
CID 135570502
methyl 6-amino-4-hydroxy-5-[[2-(phenylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonate
CID 161224538
4-[[4-[[4-[[4-[(6-benzamido-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 137200838
6-amino-5-[[4-[[2-[[4-chloro-6-(4-ethenylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-4-(dimethylamino)phenyl]diazenyl]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 144979852
6-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57134662

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid (CID 135573290) is 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid is Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(NC(=O)c2ccccc2S(=O)(=O)O)cc1S(=O)(=O)O.
What is the InChIKey of 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is NBQVLCXDBLXWMO-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H18N4O11S3/c24-16-7-5-12-9-14(39(30,31)32)11-18(28)21(12)22(16)27-26-17-8-6-13(10-20(17)41(36,37)38)25-23(29)15-3-1-2-4-19(15)40(33,34)35/h1-11,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)/b27-26+.
What are the key properties of 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid?
6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 622.62 g/mol, XLogP of 3.54, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-hydroxy-5-[[2-sulfo-4-[(2-sulfobenzoyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 135573290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).