potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride

C10H9KN4O3S — CID 173442227

IUPACpotassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride
SMILESN#CC(C#N)=C(N)Nc1ccc(S(=O)(=O)O)cc1.[H-].[K+]
InChIInChI=1S/C10H8N4O3S.K.H/c11-5-7(6-12)10(13)14-8-1-3-9(4-2-8)18(15,16)17;;/h1-4,14H,13H2,(H,15,16,17);;/q;+1;-1
InChIKeyKWOWFWAUMILBMM-UHFFFAOYSA-N
MW304.37 g/mol
LogP-2.32
Rot. Bonds3

About potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride

potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride (PubChem CID 173442227) has the molecular formula C10H9KN4O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride
PubChem CID173442227
Molecular FormulaC10H9KN4O3S
Molecular Weight304.37 g/mol
Exact Mass304.00
IUPAC Namepotassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride
SMILESN#CC(C#N)=C(N)Nc1ccc(S(=O)(=O)O)cc1.[H-].[K+]
InChIInChI=1S/C10H8N4O3S.K.H/c11-5-7(6-12)10(13)14-8-1-3-9(4-2-8)18(15,16)17;;/h1-4,14H,13H2,(H,15,16,17);;/q;+1;-1
InChIKeyKWOWFWAUMILBMM-UHFFFAOYSA-N
XLogP-2.32
TPSA140.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid
CID 88780104
Sodium 4-sulfophenylurea
CID 87590877
potassium;4-[(1,3-diamino-2-cyano-3-oxoprop-1-enyl)amino]benzenesulfonate;hydrate
CID 88779884
4-acetamidobenzenesulfonic acid chloride
CID 53446633
4-(ethanethioylamino)benzenesulfonic acid
CID 22955667
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255
4-[[(Z)-3-(4-aminoanilino)-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819038
4-(2,2,3-trimethylbutanoylamino)benzenesulfonic acid
CID 54106599
4-[[(Z)-2-cyano-3-(3,4-dimethylanilino)prop-2-enoyl]amino]benzenesulfonic acid
CID 108819202
4-(2-cyanoethylamino)benzenesulfonic acid
CID 82041013
4-[[(Z)-2-cyano-3-(prop-2-enylamino)prop-2-enoyl]amino]benzenesulfonic acid
CID 108819232
4-[[(Z)-3-[tert-butyl(ethyl)amino]-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819294

Frequently Asked Questions

What is the IUPAC name of potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride?
The IUPAC name of potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride (CID 173442227) is potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride.
What is the SMILES notation for potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride?
The canonical SMILES for potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride is N#CC(C#N)=C(N)Nc1ccc(S(=O)(=O)O)cc1.[H-].[K+].
What is the InChIKey of potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride?
The InChIKey is KWOWFWAUMILBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S.K.H/c11-5-7(6-12)10(13)14-8-1-3-9(4-2-8)18(15,16)17;;/h1-4,14H,13H2,(H,15,16,17);;/q;+1;-1.
What are the key properties of potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride?
potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride has a molecular weight of 304.37 g/mol, XLogP of -2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride is sourced from PubChem (CID 173442227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).