potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride

C17H19BrCl2KN3O3S — CID 175573050

IUPACpotassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride
SMILESCN(C)C=NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Br.Cl.[H-].[K+]
InChIInChI=1S/C17H17BrClN3O3S.ClH.K.H/c1-22(2)11-20-26(24,25)16-10-13(7-8-14(16)18)21-17(23)9-12-5-3-4-6-15(12)19;;;/h3-8,10-11H,9H2,1-2H3,(H,21,23);1H;;/q;;+1;-1
InChIKeyZHGHHMXVPYUGPP-UHFFFAOYSA-N
MW535.33 g/mol
LogP1.10
Rot. Bonds6

About potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride

potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride (PubChem CID 175573050) has the molecular formula C17H19BrCl2KN3O3S and a molecular weight of 535.33 g/mol. Its IUPAC name is potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride.

Molecular Properties

Compound Namepotassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride
PubChem CID175573050
Molecular FormulaC17H19BrCl2KN3O3S
Molecular Weight535.33 g/mol
Exact Mass532.93
IUPAC Namepotassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride
SMILESCN(C)C=NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Br.Cl.[H-].[K+]
InChIInChI=1S/C17H17BrClN3O3S.ClH.K.H/c1-22(2)11-20-26(24,25)16-10-13(7-8-14(16)18)21-17(23)9-12-5-3-4-6-15(12)19;;;/h3-8,10-11H,9H2,1-2H3,(H,21,23);1H;;/q;;+1;-1
InChIKeyZHGHHMXVPYUGPP-UHFFFAOYSA-N
XLogP1.10
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride?
The IUPAC name of potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride (CID 175573050) is potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride.
What is the SMILES notation for potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride?
The canonical SMILES for potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride is CN(C)C=NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Br.Cl.[H-].[K+].
What is the InChIKey of potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride?
The InChIKey is ZHGHHMXVPYUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O3S.ClH.K.H/c1-22(2)11-20-26(24,25)16-10-13(7-8-14(16)18)21-17(23)9-12-5-3-4-6-15(12)19;;;/h3-8,10-11H,9H2,1-2H3,(H,21,23);1H;;/q;;+1;-1.
What are the key properties of potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride?
potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride has a molecular weight of 535.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride is sourced from PubChem (CID 175573050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).