potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate

C24H36KN3O7S2 — CID 158470021

IUPACpotassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate
SMILESC.CC1=Nc2ccc(S(=O)(=O)[O-])cc2C1(C)C.CCC(C)C(C)=O.NNc1ccc(S(=O)(=O)O)cc1.[K+]
InChIInChI=1S/C11H13NO3S.C6H8N2O3S.C6H12O.CH4.K/c1-7-11(2,3)9-6-8(16(13,14)15)4-5-10(9)12-7;7-8-5-1-3-6(4-2-5)12(9,10)11;1-4-5(2)6(3)7;;/h4-6H,1-3H3,(H,13,14,15);1-4,8H,7H2,(H,9,10,11);5H,4H2,1-3H3;1H4;/q;;;;+1/p-1
InChIKeyHGFWEHBOEDSOEL-UHFFFAOYSA-M
MW581.80 g/mol
LogP1.45
Rot. Bonds5

About potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate

potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate (PubChem CID 158470021) has the molecular formula C24H36KN3O7S2 and a molecular weight of 581.80 g/mol. Its IUPAC name is potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate.

Molecular Properties

Compound Namepotassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate
PubChem CID158470021
Molecular FormulaC24H36KN3O7S2
Molecular Weight581.80 g/mol
Exact Mass581.16
IUPAC Namepotassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate
SMILESC.CC1=Nc2ccc(S(=O)(=O)[O-])cc2C1(C)C.CCC(C)C(C)=O.NNc1ccc(S(=O)(=O)O)cc1.[K+]
InChIInChI=1S/C11H13NO3S.C6H8N2O3S.C6H12O.CH4.K/c1-7-11(2,3)9-6-8(16(13,14)15)4-5-10(9)12-7;7-8-5-1-3-6(4-2-5)12(9,10)11;1-4-5(2)6(3)7;;/h4-6H,1-3H3,(H,13,14,15);1-4,8H,7H2,(H,9,10,11);5H,4H2,1-3H3;1H4;/q;;;;+1/p-1
InChIKeyHGFWEHBOEDSOEL-UHFFFAOYSA-M
XLogP1.45
TPSA179.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.80
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate with MolForge

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Related Compounds

CID 157927024
CID 157927024
CID 158389036
CID 158389036
CID 159072804
CID 159072804
CID 159154840
CID 159154840
CID 159340110
CID 159340110
CID 159487659
CID 159487659
CID 159706626
CID 159706626
CID 159780967
CID 159780967
CID 162237654
CID 162237654

Frequently Asked Questions

What is the IUPAC name of potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate?
The IUPAC name of potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate (CID 158470021) is potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate.
What is the SMILES notation for potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate?
The canonical SMILES for potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate is C.CC1=Nc2ccc(S(=O)(=O)[O-])cc2C1(C)C.CCC(C)C(C)=O.NNc1ccc(S(=O)(=O)O)cc1.[K+].
What is the InChIKey of potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate?
The InChIKey is HGFWEHBOEDSOEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO3S.C6H8N2O3S.C6H12O.CH4.K/c1-7-11(2,3)9-6-8(16(13,14)15)4-5-10(9)12-7;7-8-5-1-3-6(4-2-5)12(9,10)11;1-4-5(2)6(3)7;;/h4-6H,1-3H3,(H,13,14,15);1-4,8H,7H2,(H,9,10,11);5H,4H2,1-3H3;1H4;/q;;;;+1/p-1.
What are the key properties of potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate?
potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate has a molecular weight of 581.80 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-hydrazinylbenzenesulfonic acid;methane;3-methylpentan-2-one;2,3,3-trimethylindole-5-sulfonate is sourced from PubChem (CID 158470021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).