trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)

C105H103N18Na3O22S6 — CID 158230298

IUPACtrisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)
SMILESC/N=N/c1ccc(S(=O)(=O)NC)cc1.C/N=N/c1ccc(S(=O)(=O)NC)cc1.C/N=N/c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)c(OC)cc1C.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)c(OC)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.[Na+].[Na+].[Na+]
InChIInChI=1S/2C25H23N3O6S.C25H23N3O4S.C14H15N3O2S.2C8H11N3O2S.3Na/c2*1-15-11-22(34-3)20(14-21(15)33-2)27-28-24-23(35(30,31)32)13-16-12-18(9-10-19(16)25(24)29)26-17-7-5-4-6-8-17;1-15-11-17(3)22(12-16(15)2)27-28-24-23(33(30,31)32)14-18-13-20(9-10-21(18)25(24)29)26-19-7-5-4-6-8-19;1-11-3-5-13(6-4-11)17-20(18,19)14-9-7-12(8-10-14)16-15-2;2*1-9-11-7-3-5-8(6-4-7)14(12,13)10-2;;;/h2*4-14,26,29H,1-3H3,(H,30,31,32);4-14,26,29H,1-3H3,(H,30,31,32);3-10,17H,1-2H3;2*3-6,10H,1-2H3;;;/q;;;;;;3*+1/p-3/b3*28-27+;16-15+;2*11-9+;;;
InChIKeyGEHJGAJTPOXHAL-OXOJPIOSSA-K
MW2230.45 g/mol
LogP15.54
Rot. Bonds29

About trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)

trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide) (PubChem CID 158230298) has the molecular formula C105H103N18Na3O22S6 and a molecular weight of 2230.45 g/mol. Its IUPAC name is trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide).

Molecular Properties

Compound Nametrisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)
PubChem CID158230298
Molecular FormulaC105H103N18Na3O22S6
Molecular Weight2230.45 g/mol
Exact Mass2228.55
IUPAC Nametrisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)
SMILESC/N=N/c1ccc(S(=O)(=O)NC)cc1.C/N=N/c1ccc(S(=O)(=O)NC)cc1.C/N=N/c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)c(OC)cc1C.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)c(OC)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.[Na+].[Na+].[Na+]
InChIInChI=1S/2C25H23N3O6S.C25H23N3O4S.C14H15N3O2S.2C8H11N3O2S.3Na/c2*1-15-11-22(34-3)20(14-21(15)33-2)27-28-24-23(35(30,31)32)13-16-12-18(9-10-19(16)25(24)29)26-17-7-5-4-6-8-17;1-15-11-17(3)22(12-16(15)2)27-28-24-23(33(30,31)32)14-18-13-20(9-10-21(18)25(24)29)26-19-7-5-4-6-8-19;1-11-3-5-13(6-4-11)17-20(18,19)14-9-7-12(8-10-14)16-15-2;2*1-9-11-7-3-5-8(6-4-7)14(12,13)10-2;;;/h2*4-14,26,29H,1-3H3,(H,30,31,32);4-14,26,29H,1-3H3,(H,30,31,32);3-10,17H,1-2H3;2*3-6,10H,1-2H3;;;/q;;;;;;3*+1/p-3/b3*28-27+;16-15+;2*11-9+;;;
InChIKeyGEHJGAJTPOXHAL-OXOJPIOSSA-K
XLogP15.54
TPSA592.13 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002230.45
LogP ≤ 515.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

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 trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide) with MolForge

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Related Compounds

trisodium;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);tris(N-methyl-4-(methyldiazenyl)benzenesulfonamide)
CID 165006394
7-anilino-3-[[2,5-dimethoxy-4-[[4-(methylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137126017
hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)
CID 160731884
tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide
CID 165111171
7-anilino-3-[[4-[(2,5-dimethyl-4-phenyldiazenylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136995279
trisodium;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;bis(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate);methane
CID 159153381
4-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 136606748
4-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 137200917
7-anilino-4-hydroxy-3-[[4-[[4-[3-[2-(2-hydroxyethoxy)ethoxy]propylsulfamoyl]phenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 137302216
7-anilino-3-[[4-[[2,5-dimethoxy-4-[(4-methyl-2-sulfophenyl)diazenyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137200907
7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 157424812
hexasodium;5-acetamido-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate;sulfur trioxide
CID 162204196

Frequently Asked Questions

What is the IUPAC name of trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)?
The IUPAC name of trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide) (CID 158230298) is trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide).
What is the SMILES notation for trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)?
The canonical SMILES for trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide) is C/N=N/c1ccc(S(=O)(=O)NC)cc1.C/N=N/c1ccc(S(=O)(=O)NC)cc1.C/N=N/c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)c(OC)cc1C.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)c(OC)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)?
The InChIKey is GEHJGAJTPOXHAL-OXOJPIOSSA-K. The full InChI is InChI=1S/2C25H23N3O6S.C25H23N3O4S.C14H15N3O2S.2C8H11N3O2S.3Na/c2*1-15-11-22(34-3)20(14-21(15)33-2)27-28-24-23(35(30,31)32)13-16-12-18(9-10-19(16)25(24)29)26-17-7-5-4-6-8-17;1-15-11-17(3)22(12-16(15)2)27-28-24-23(33(30,31)32)14-18-13-20(9-10-21(18)25(24)29)26-19-7-5-4-6-8-19;1-11-3-5-13(6-4-11)17-20(18,19)14-9-7-12(8-10-14)16-15-2;2*1-9-11-7-3-5-8(6-4-7)14(12,13)10-2;;;/h2*4-14,26,29H,1-3H3,(H,30,31,32);4-14,26,29H,1-3H3,(H,30,31,32);3-10,17H,1-2H3;2*3-6,10H,1-2H3;;;/q;;;;;;3*+1/p-3/b3*28-27+;16-15+;2*11-9+;;;.
What are the key properties of trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)?
trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide) has a molecular weight of 2230.45 g/mol, XLogP of 15.54, 29 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide) is sourced from PubChem (CID 158230298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).