sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide

C36H37CoN9NaO10S2+ — CID 163360368

IUPACsodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
SMILESCC(O)=C(/N=N/c1cc(S(=O)(=O)NC(C)C)ccc1O)C(=O)Nc1ccccc1.CNS(=O)(=O)c1ccc2c(/N=N/c3ccc([N+](=O)[O-])cc3O)c(N)ccc2c1.[Co].[Na+]
InChIInChI=1S/C19H22N4O5S.C17H15N5O5S.Co.Na/c1-12(2)23-29(27,28)15-9-10-17(25)16(11-15)21-22-18(13(3)24)19(26)20-14-7-5-4-6-8-14;1-19-28(26,27)12-4-5-13-10(8-12)2-6-14(18)17(13)21-20-15-7-3-11(22(24)25)9-16(15)23;;/h4-12,23-25H,1-3H3,(H,20,26);2-9,19,23H,18H2,1H3;;/q;;;+1/b18-13?,22-21+;21-20+;;
InChIKeyIMYQCXDVECQCIL-SCMHRCDLSA-N
MW901.80 g/mol
LogP3.95
Rot. Bonds12

About sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide

sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide (PubChem CID 163360368) has the molecular formula C36H37CoN9NaO10S2+ and a molecular weight of 901.80 g/mol. Its IUPAC name is sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide.

Molecular Properties

Compound Namesodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
PubChem CID163360368
Molecular FormulaC36H37CoN9NaO10S2+
Molecular Weight901.80 g/mol
Exact Mass901.13
IUPAC Namesodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
SMILESCC(O)=C(/N=N/c1cc(S(=O)(=O)NC(C)C)ccc1O)C(=O)Nc1ccccc1.CNS(=O)(=O)c1ccc2c(/N=N/c3ccc([N+](=O)[O-])cc3O)c(N)ccc2c1.[Co].[Na+]
InChIInChI=1S/C19H22N4O5S.C17H15N5O5S.Co.Na/c1-12(2)23-29(27,28)15-9-10-17(25)16(11-15)21-22-18(13(3)24)19(26)20-14-7-5-4-6-8-14;1-19-28(26,27)12-4-5-13-10(8-12)2-6-14(18)17(13)21-20-15-7-3-11(22(24)25)9-16(15)23;;/h4-12,23-25H,1-3H3,(H,20,26);2-9,19,23H,18H2,1H3;;/q;;;+1/b18-13?,22-21+;21-20+;;
InChIKeyIMYQCXDVECQCIL-SCMHRCDLSA-N
XLogP3.95
TPSA300.73 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.80
LogP ≤ 53.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide with MolForge

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Related Compounds

(Z)-3-hydroxy-2-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 135941732
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
2-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt;(Z)-2-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]-3-oxido-N-phenylbut-2-enimidate
CID 170845298
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
sodium;bis(8-amino-1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol);chromium
CID 170844440
disodium;5-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-2-[4-[[(E)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-5-methyl-2-sulfonatophenyl]-4-methylbenzenesulfonate
CID 136595430
disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 170840702
sodium;2-[[(E)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]naphthalene-1-sulfonate;methanol
CID 139174046
3-hydroxy-4-[[2-methoxy-5-(methylsulfamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137304849
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 156599392
[(E)-4-anilino-3-[(2-methoxy-4-nitrophenyl)diazenyl]-4-oxobut-2-en-2-yl] propan-2-yl carbonate
CID 89092881
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 19238

Frequently Asked Questions

What is the IUPAC name of sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide?
The IUPAC name of sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide (CID 163360368) is sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide.
What is the SMILES notation for sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide?
The canonical SMILES for sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide is CC(O)=C(/N=N/c1cc(S(=O)(=O)NC(C)C)ccc1O)C(=O)Nc1ccccc1.CNS(=O)(=O)c1ccc2c(/N=N/c3ccc([N+](=O)[O-])cc3O)c(N)ccc2c1.[Co].[Na+].
What is the InChIKey of sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide?
The InChIKey is IMYQCXDVECQCIL-SCMHRCDLSA-N. The full InChI is InChI=1S/C19H22N4O5S.C17H15N5O5S.Co.Na/c1-12(2)23-29(27,28)15-9-10-17(25)16(11-15)21-22-18(13(3)24)19(26)20-14-7-5-4-6-8-14;1-19-28(26,27)12-4-5-13-10(8-12)2-6-14(18)17(13)21-20-15-7-3-11(22(24)25)9-16(15)23;;/h4-12,23-25H,1-3H3,(H,20,26);2-9,19,23H,18H2,1H3;;/q;;;+1/b18-13?,22-21+;21-20+;;.
What are the key properties of sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide?
sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide has a molecular weight of 901.80 g/mol, XLogP of 3.95, 12 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide;cobalt;3-hydroxy-2-[[2-hydroxy-5-(propan-2-ylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide is sourced from PubChem (CID 163360368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).