sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline

C14H14N3NaO5S — CID 59012909

IUPACsodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline
SMILESCOc1cc(/N=N/c2ccc(SOO[O-])cc2)c(OC)cc1N.[Na+]
InChIInChI=1S/C14H15N3O5S.Na/c1-19-13-8-12(14(20-2)7-11(13)15)17-16-9-3-5-10(6-4-9)23-22-21-18;/h3-8,18H,15H2,1-2H3;/q;+1/p-1/b17-16+;
InChIKeyJZYWTGKHUGKNTI-CMBBICFISA-M
MW359.34 g/mol
LogP-0.06
Rot. Bonds7

About sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline

sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline (PubChem CID 59012909) has the molecular formula C14H14N3NaO5S and a molecular weight of 359.34 g/mol. Its IUPAC name is sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline.

Molecular Properties

Compound Namesodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline
PubChem CID59012909
Molecular FormulaC14H14N3NaO5S
Molecular Weight359.34 g/mol
Exact Mass359.06
IUPAC Namesodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline
SMILESCOc1cc(/N=N/c2ccc(SOO[O-])cc2)c(OC)cc1N.[Na+]
InChIInChI=1S/C14H15N3O5S.Na/c1-19-13-8-12(14(20-2)7-11(13)15)17-16-9-3-5-10(6-4-9)23-22-21-18;/h3-8,18H,15H2,1-2H3;/q;+1/p-1/b17-16+;
InChIKeyJZYWTGKHUGKNTI-CMBBICFISA-M
XLogP-0.06
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 88561091
[3-[(4-amino-2,5-dimethoxyphenyl)diazenyl]phenyl]-trimethylazanium
CID 10915114
2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 21343265
4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline
CID 23339963
5-methoxy-2-nitro-4-phenyldiazenylaniline
CID 21393323
2-[[2-hydroxy-5-methoxy-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-6-(methylamino)-3-(trioxidanylsulfanyl)naphthalen-1-ol
CID 135992795
8-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-5-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137492596
7-amino-4-hydroxy-3,8-bis[[5-methoxy-2-sulfo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 144979868
2-methoxy-6-oxidoperoxysulfanylnaphthalene
CID 22082268
(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene
CID 59237990
7-(4-amino-3-sulfoanilino)-3-[[4-[[2,5-dimethoxy-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137200909
nonadecasodium;6-[(4-amino-3-methoxyphenyl)diazenyl]-2-[[3-methyl-4-[[4-[(2-methyl-4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-oxidoperoxysulfanylnaphthalen-1-ol;6-[(4-aminophenyl)diazenyl]-2-[[2,5-dimethyl-4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-oxidoperoxysulfanylnaphthalen-1-ol;6-[(4-aminophenyl)diazenyl]-3-oxidoperoxysulfanyl-2-[[4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol;5-[[6-[[2,5-dimethyl-4-[[4-[(6-oxidoperoxysulfanyl-4,8-disulfonatonaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalen-2-yl]diazenyl]-2-hydroxybenzoate;2-[[2,5-dimethyl-4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-6-[(4-hydroxyphenyl)diazenyl]-3-oxidoperoxysulfanylnaphthalen-1-ol;7-[[4-[[4-[[1-hydroxy-6-[(4-hydroxyphenyl)diazenyl]-3-oxidoperoxysulfanylnaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1,6-disulfonate;6-[(4-hydroxyphenyl)diazenyl]-3-oxidoperoxysulfanyl-2-[[4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol
CID 159446502

Frequently Asked Questions

What is the IUPAC name of sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline?
The IUPAC name of sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline (CID 59012909) is sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline.
What is the SMILES notation for sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline?
The canonical SMILES for sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline is COc1cc(/N=N/c2ccc(SOO[O-])cc2)c(OC)cc1N.[Na+].
What is the InChIKey of sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline?
The InChIKey is JZYWTGKHUGKNTI-CMBBICFISA-M. The full InChI is InChI=1S/C14H15N3O5S.Na/c1-19-13-8-12(14(20-2)7-11(13)15)17-16-9-3-5-10(6-4-9)23-22-21-18;/h3-8,18H,15H2,1-2H3;/q;+1/p-1/b17-16+;.
What are the key properties of sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline?
sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline has a molecular weight of 359.34 g/mol, XLogP of -0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline is sourced from PubChem (CID 59012909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).