chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide

C34H31CrN9O9S2 — CID 121232464

IUPACchromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide
SMILESCC(=O)Nc1ccc2ccc(O)c(/N=N\c3cc(S(N)(=O)=O)ccc3O)c2c1.Cc1nn(-c2ccccc2)c(=O)[c-]1/N=N\c1cc(S(N)(=O)=O)ccc1O.[Cr].[H+]
InChIInChI=1S/C18H16N4O5S.C16H14N5O4S.Cr/c1-10(23)20-12-4-2-11-3-6-17(25)18(14(11)8-12)22-21-15-9-13(28(19,26)27)5-7-16(15)24;1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22;/h2-9,24-25H,1H3,(H,20,23)(H2,19,26,27);2-9,22H,1H3,(H2,17,24,25);/q;-1;/p+1/b22-21-;19-18-;
InChIKeyHCSLCPGFTGSRHR-CANBOAPGSA-O
MW825.81 g/mol
LogP5.41
Rot. Bonds8

About chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide

chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide (PubChem CID 121232464) has the molecular formula C34H31CrN9O9S2 and a molecular weight of 825.81 g/mol. Its IUPAC name is chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Namechromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide
PubChem CID121232464
Molecular FormulaC34H31CrN9O9S2
Molecular Weight825.81 g/mol
Exact Mass825.11
IUPAC Namechromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide
SMILESCC(=O)Nc1ccc2ccc(O)c(/N=N\c3cc(S(N)(=O)=O)ccc3O)c2c1.Cc1nn(-c2ccccc2)c(=O)[c-]1/N=N\c1cc(S(N)(=O)=O)ccc1O.[Cr].[H+]
InChIInChI=1S/C18H16N4O5S.C16H14N5O4S.Cr/c1-10(23)20-12-4-2-11-3-6-17(25)18(14(11)8-12)22-21-15-9-13(28(19,26)27)5-7-16(15)24;1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22;/h2-9,24-25H,1H3,(H,20,23)(H2,19,26,27);2-9,22H,1H3,(H2,17,24,25);/q;-1;/p+1/b22-21-;19-18-;
InChIKeyHCSLCPGFTGSRHR-CANBOAPGSA-O
XLogP5.41
TPSA294.44 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500825.81
LogP ≤ 55.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

disodium;chromium;4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenylpyrazol-4-id-3-one
CID 91809018
chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 91668136
sodium;chromium;bis(3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonamide)
CID 91809143
sodium;chromium;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;hydrate
CID 71301372
2-aminoethanol;chromium;hydron;2-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;hydrate
CID 119057938
5-chloro-2-hydroxy-3-[[3-methyl-5-oxo-1-(3-sulfophenyl)pyrazol-4-id-4-yl]diazenyl]benzenesulfonic acid;chromium;hydron
CID 71301345
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
sodium;chromium(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-sulfamoylphenolate;1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
CID 165360700
disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate
CID 170841737
sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide
CID 170840846
chromium(3+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfophenolate;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
CID 170854049
sodium;cobalt;ethyl-[4-hydroxy-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]sulfonylazanium;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate
CID 170845880

Frequently Asked Questions

What is the IUPAC name of chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide?
The IUPAC name of chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide (CID 121232464) is chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide is CC(=O)Nc1ccc2ccc(O)c(/N=N\c3cc(S(N)(=O)=O)ccc3O)c2c1.Cc1nn(-c2ccccc2)c(=O)[c-]1/N=N\c1cc(S(N)(=O)=O)ccc1O.[Cr].[H+].
What is the InChIKey of chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide?
The InChIKey is HCSLCPGFTGSRHR-CANBOAPGSA-O. The full InChI is InChI=1S/C18H16N4O5S.C16H14N5O4S.Cr/c1-10(23)20-12-4-2-11-3-6-17(25)18(14(11)8-12)22-21-15-9-13(28(19,26)27)5-7-16(15)24;1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22;/h2-9,24-25H,1H3,(H,20,23)(H2,19,26,27);2-9,22H,1H3,(H2,17,24,25);/q;-1;/p+1/b22-21-;19-18-;.
What are the key properties of chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide?
chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide has a molecular weight of 825.81 g/mol, XLogP of 5.41, 8 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;hydron;N-[7-hydroxy-8-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]naphthalen-2-yl]acetamide;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 121232464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).