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

C39H37CoN5NaO10S2+ — CID 119057977

IUPACsodium;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
SMILESCCS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3cccc(COC(=O)NC)c32)c1.CCS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.[Co].[Na+]
InChIInChI=1S/C21H21N3O6S.C18H16N2O4S.Co.Na/c1-3-31(28,29)15-8-10-17(25)16(11-15)23-24-20-18(26)9-7-13-5-4-6-14(19(13)20)12-30-21(27)22-2;1-2-25(23,24)13-8-10-16(21)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-17(18)22;;/h4-11,23,25H,3,12H2,1-2H3,(H,22,27);3-11,19,21H,2H2,1H3;;/q;;;+1/b24-20+;20-18-;;
InChIKeyNVTLBSRWSCENBJ-QMGZDEJVSA-N
MW881.81 g/mol
LogP2.05
Rot. Bonds10

About 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

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 (PubChem CID 119057977) has the molecular formula C39H37CoN5NaO10S2+ and a molecular weight of 881.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namesodium;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
PubChem CID119057977
Molecular FormulaC39H37CoN5NaO10S2+
Molecular Weight881.81 g/mol
Exact Mass881.12
IUPAC Namesodium;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
SMILESCCS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3cccc(COC(=O)NC)c32)c1.CCS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.[Co].[Na+]
InChIInChI=1S/C21H21N3O6S.C18H16N2O4S.Co.Na/c1-3-31(28,29)15-8-10-17(25)16(11-15)23-24-20-18(26)9-7-13-5-4-6-14(19(13)20)12-30-21(27)22-2;1-2-25(23,24)13-8-10-16(21)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-17(18)22;;/h4-11,23,25H,3,12H2,1-2H3,(H,22,27);3-11,19,21H,2H2,1H3;;/q;;;+1/b24-20+;20-18-;;
InChIKeyNVTLBSRWSCENBJ-QMGZDEJVSA-N
XLogP2.05
TPSA229.99 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.81
LogP ≤ 52.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

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'}

Analyze 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 with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3cccc(COC(=O)NC)c32)c1.CCS(=O)(=O)c1ccc(O)c(N/N=C2\C(=O)C=Cc3ccccc32)c1.[Co].[Na+].
What is the InChIKey of 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?
The InChIKey is NVTLBSRWSCENBJ-QMGZDEJVSA-N. The full InChI is InChI=1S/C21H21N3O6S.C18H16N2O4S.Co.Na/c1-3-31(28,29)15-8-10-17(25)16(11-15)23-24-20-18(26)9-7-13-5-4-6-14(19(13)20)12-30-21(27)22-2;1-2-25(23,24)13-8-10-16(21)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-17(18)22;;/h4-11,23,25H,3,12H2,1-2H3,(H,22,27);3-11,19,21H,2H2,1H3;;/q;;;+1/b24-20+;20-18-;;.
What are the key properties of 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?
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 has a molecular weight of 881.81 g/mol, XLogP of 2.05, 10 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 119057977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).