disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)

C32H26CoN6Na2O8S2+2 — CID 91666500

IUPACdisodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)
SMILESNS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.NS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.[Co].[Na+].[Na+]
InChIInChI=1S/2C16H13N3O4S.Co.2Na/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;;/h2*1-9,18,20H,(H2,17,22,23);;;/q;;;2*+1/b2*19-16-;;;
InChIKeyDUWRNDJAHZIXFF-DDGYWTDOSA-N
MW791.64 g/mol
LogP-3.09
Rot. Bonds6

About disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)

disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide) (PubChem CID 91666500) has the molecular formula C32H26CoN6Na2O8S2+2 and a molecular weight of 791.64 g/mol. Its IUPAC name is disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide).

Molecular Properties

Compound Namedisodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)
PubChem CID91666500
Molecular FormulaC32H26CoN6Na2O8S2+2
Molecular Weight791.64 g/mol
Exact Mass791.04
IUPAC Namedisodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)
SMILESNS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.NS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.[Co].[Na+].[Na+]
InChIInChI=1S/2C16H13N3O4S.Co.2Na/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;;/h2*1-9,18,20H,(H2,17,22,23);;;/q;;;2*+1/b2*19-16-;;;
InChIKeyDUWRNDJAHZIXFF-DDGYWTDOSA-N
XLogP-3.09
TPSA243.70 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.64
LogP ≤ 5-3.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;cobalt;(1Z)-1-[(5-ethylsulfonyl-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one;[(8Z)-8-[(5-ethylsulfonyl-2-hydroxyphenyl)hydrazinylidene]-7-oxonaphthalen-1-yl]methyl N-methylcarbamate
CID 119057977
4-methyl-2-[5-methyl-4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]-5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
CID 6848303
5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]benzenesulfonic acid
CID 6857887
2-[bis(2-hydroxyethyl)amino]ethanol;chromium;hydron;(1Z)-1-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]naphthalen-2-one;(1Z)-1-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]naphthalen-2-one
CID 119057779
disodium;3-methyl-5-[3-methyl-4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-5-sulfonatophenyl]-2-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
CID 6508820
bis((1Z)-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one);chromium;2-(dodecylamino)ethanol;hydron
CID 71301277
5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 6814431
5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 6305577
3-[[3-methyl-4-[2-methyl-4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
CID 6848418
3-[(2-hydroxyphenyl)hydrazinylidene]-7-[[6-[(2-hydroxy-5-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-4-oxonaphthalene-2-sulfonic acid
CID 6912963
4-hydroxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 169373397
disodium;7-[[4-anilino-6-[[6-[(2-hydroxy-5-methylsulfonylphenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-3-[(2-hydroxy-5-methylsulfonylphenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate
CID 57353129

Frequently Asked Questions

What is the IUPAC name of disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)?
The IUPAC name of disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide) (CID 91666500) is disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide).
What is the SMILES notation for disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)?
The canonical SMILES for disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide) is NS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.NS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.[Co].[Na+].[Na+].
What is the InChIKey of disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)?
The InChIKey is DUWRNDJAHZIXFF-DDGYWTDOSA-N. The full InChI is InChI=1S/2C16H13N3O4S.Co.2Na/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;;/h2*1-9,18,20H,(H2,17,22,23);;;/q;;;2*+1/b2*19-16-;;;.
What are the key properties of disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide)?
disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide) has a molecular weight of 791.64 g/mol, XLogP of -3.09, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;cobalt;bis(4-hydroxy-3-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonamide) is sourced from PubChem (CID 91666500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).