tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate

C125H115Cl3N24Na4O28S8 — CID 161408221

About tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate

tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate (PubChem CID 161408221) has the molecular formula C125H115Cl3N24Na4O28S8 and a molecular weight of 2856.29 g/mol. Its IUPAC name is tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.

Molecular Properties

• Compound Name: tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
• PubChem CID: 161408221
• Molecular Formula: C125H115Cl3N24Na4O28S8
• Molecular Weight: 2856.29 g/mol
• Exact Mass: 2852.47
• IUPAC Name: tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
• SMILES: CCCCNC(=O)Nc1ccc(C)c(N(CC)S(=O)(=O)c2ccccc2/N=N/c2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c23)c1.CCN(c1cc(C)c(NC(=O)Nc2ccccc2)cc1C)S(=O)(=O)c1ccccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])cc(O)c12.CCN(c1cc(Cl)c(NC(=O)Nc2ccccc2)cc1Cl)S(=O)(=O)c1ccccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])cc(O)c12.CCN(c1ccc(NC(=O)Nc2ccccc2)cc1Cl)S(=O)(=O)c1ccccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C33H32N6O7S2.C31H26Cl2N6O7S2.C31H27ClN6O7S2.C30H34N6O7S2.4Na/c1-4-39(28-17-20(2)27(16-21(28)3)36-33(41)35-23-10-6-5-7-11-23)47(42,43)30-13-9-8-12-26(30)37-38-32-25(34)15-14-22-18-24(48(44,45)46)19-29(40)31(22)32;1-2-39(26-17-21(32)25(16-22(26)33)36-31(41)35-19-8-4-3-5-9-19)47(42,43)28-11-7-6-10-24(28)37-38-30-23(34)13-12-18-14-20(48(44,45)46)15-27(40)29(18)30;1-2-38(26-15-13-21(17-23(26)32)35-31(40)34-20-8-4-3-5-9-20)46(41,42)28-11-7-6-10-25(28)36-37-30-24(33)14-12-19-16-22(47(43,44)45)18-27(39)29(19)30;1-4-6-15-32-30(38)33-21-13-11-19(3)25(17-21)36(5-2)44(39,40)27-10-8-7-9-24(27)34-35-29-23(31)14-12-20-16-22(45(41,42)43)18-26(37)28(20)29;;;;/h5-19,40H,4,34H2,1-3H3,(H2,35,36,41)(H,44,45,46);3-17,40H,2,34H2,1H3,(H2,35,36,41)(H,44,45,46);3-18,39H,2,33H2,1H3,(H2,34,35,40)(H,43,44,45);7-14,16-18,37H,4-6,15,31H2,1-3H3,(H2,32,33,38)(H,41,42,43);;;;/q;;;;4*+1/p-4/b2*38-37+;37-36+;35-34+
• InChIKey: VVDAKAOMRXGCDX-QVEDCULZSA-J
• XLogP: 15.40
• TPSA: 826.72 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2856.29
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate?

The IUPAC name of tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate (CID 161408221) is tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.

What is the SMILES notation for tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate?

The canonical SMILES for tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate is CCCCNC(=O)Nc1ccc(C)c(N(CC)S(=O)(=O)c2ccccc2/N=N/c2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c23)c1.CCN(c1cc(C)c(NC(=O)Nc2ccccc2)cc1C)S(=O)(=O)c1ccccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])cc(O)c12.CCN(c1cc(Cl)c(NC(=O)Nc2ccccc2)cc1Cl)S(=O)(=O)c1ccccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])cc(O)c12.CCN(c1ccc(NC(=O)Nc2ccccc2)cc1Cl)S(=O)(=O)c1ccccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate?

The InChIKey is VVDAKAOMRXGCDX-QVEDCULZSA-J. The full InChI is InChI=1S/C33H32N6O7S2.C31H26Cl2N6O7S2.C31H27ClN6O7S2.C30H34N6O7S2.4Na/c1-4-39(28-17-20(2)27(16-21(28)3)36-33(41)35-23-10-6-5-7-11-23)47(42,43)30-13-9-8-12-26(30)37-38-32-25(34)15-14-22-18-24(48(44,45)46)19-29(40)31(22)32;1-2-39(26-17-21(32)25(16-22(26)33)36-31(41)35-19-8-4-3-5-9-19)47(42,43)28-11-7-6-10-24(28)37-38-30-23(34)13-12-18-14-20(48(44,45)46)15-27(40)29(18)30;1-2-38(26-15-13-21(17-23(26)32)35-31(40)34-20-8-4-3-5-9-20)46(41,42)28-11-7-6-10-25(28)36-37-30-24(33)14-12-19-16-22(47(43,44)45)18-27(39)29(19)30;1-4-6-15-32-30(38)33-21-13-11-19(3)25(17-21)36(5-2)44(39,40)27-10-8-7-9-24(27)34-35-29-23(31)14-12-20-16-22(45(41,42)43)18-26(37)28(20)29;;;;/h5-19,40H,4,34H2,1-3H3,(H2,35,36,41)(H,44,45,46);3-17,40H,2,34H2,1H3,(H2,35,36,41)(H,44,45,46);3-18,39H,2,33H2,1H3,(H2,34,35,40)(H,43,44,45);7-14,16-18,37H,4-6,15,31H2,1-3H3,(H2,32,33,38)(H,41,42,43);;;;/q;;;;4*+1/p-4/b2*38-37+;37-36+;35-34+;;;;.

What are the key properties of tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate?

tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate has a molecular weight of 2856.29 g/mol, XLogP of 15.40, 38 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;6-amino-5-[[2-[[5-(butylcarbamoylamino)-2-methylphenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2-chloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dichloro-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;6-amino-5-[[2-[[2,5-dimethyl-4-(phenylcarbamoylamino)phenyl]-ethylsulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate is sourced from PubChem (CID 161408221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).