potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid

C10H13KN3O4S+ — CID 126467905

IUPACpotassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/N2CCOCC2)cc1.[K+]
InChIInChI=1S/C10H13N3O4S.K/c14-18(15,16)10-3-1-9(2-4-10)11-12-13-5-7-17-8-6-13;/h1-4H,5-8H2,(H,14,15,16);/q;+1/b12-11+;
InChIKeyKYGDDWBRVZBRKT-CALJPSDSSA-N
MW310.40 g/mol
LogP-1.73
Rot. Bonds3

About potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid

potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid (PubChem CID 126467905) has the molecular formula C10H13KN3O4S+ and a molecular weight of 310.40 g/mol. Its IUPAC name is potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid.

Molecular Properties

Compound Namepotassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid
PubChem CID126467905
Molecular FormulaC10H13KN3O4S+
Molecular Weight310.40 g/mol
Exact Mass310.03
IUPAC Namepotassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/N2CCOCC2)cc1.[K+]
InChIInChI=1S/C10H13N3O4S.K/c14-18(15,16)10-3-1-9(2-4-10)11-12-13-5-7-17-8-6-13;/h1-4H,5-8H2,(H,14,15,16);/q;+1/b12-11+;
InChIKeyKYGDDWBRVZBRKT-CALJPSDSSA-N
XLogP-1.73
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
CID 1235130
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661
N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide
CID 25047791
N-[4-[[4-[[4-(1-oxidoethylideneamino)sulfonylphenyl]diazenyl]piperazin-1-yl]diazenyl]phenyl]sulfonylethanimidate
CID 4123143
4-[[4-(methylamino)phenyl]diazenyl]benzenesulfonic acid
CID 54536632
3-[4-(morpholin-4-yldiazenyl)phenoxy]propan-1-ol
CID 102354378
CID 170845739
CID 170845739
4-[4-(methyldiazenyl)-N-(4-sulfophenyl)anilino]benzenesulfonic acid
CID 168726206
5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile
CID 54043988
bis(4-methylbenzenesulfonic acid);oxane
CID 173435913
4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt
CID 166600375
5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfo-4-[[3-sulfo-4-[(E)-2-[2-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonic acid
CID 100952538

Frequently Asked Questions

What is the IUPAC name of potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid?
The IUPAC name of potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid (CID 126467905) is potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid.
What is the SMILES notation for potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid?
The canonical SMILES for potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid is O=S(=O)(O)c1ccc(/N=N/N2CCOCC2)cc1.[K+].
What is the InChIKey of potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid?
The InChIKey is KYGDDWBRVZBRKT-CALJPSDSSA-N. The full InChI is InChI=1S/C10H13N3O4S.K/c14-18(15,16)10-3-1-9(2-4-10)11-12-13-5-7-17-8-6-13;/h1-4H,5-8H2,(H,14,15,16);/q;+1/b12-11+;.
What are the key properties of potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid?
potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid has a molecular weight of 310.40 g/mol, XLogP of -1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid is sourced from PubChem (CID 126467905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).