N-[2-[2-[3-(benzenesulfonyl)propanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

HCID 4847713

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Basic information

CAS: 853351-93-6
Standard SMILES: Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIKey: ABICCEQKYASYAS-UHFFFAOYSA-N
Molecular formula: C19H23N3O6S2
Average molar mass: 453.5 g/mol
Monoisotopic mass: 453.10282781

Names & identifiers

Preferred name: N-[2-[2-[3-(benzenesulfonyl)propanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
IUPAC: N-[2-[2-[3-(benzenesulfonyl)propanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

Names & synonyms

N-[2-[2-[3-(benzenesulfonyl)propanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamideMLS002245448CHEMBL1707437DTXSID401322380HMS3057P07AKOS001395723853351-93-6SMR001309100Z33361606N-(2-{2-[3-(Benzenesulfonyl)propanoyl]hydrazinyl}-2-oxoethyl)-N,4-dimethylbenzene-1-sulfonamide

Database identifiers

CAS: 853351-93-6
PubChem CID: 4847713
DTXSID: DTXSID401322380
ChEMBL: CHEMBL1707437

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 146 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 787

Experimental & physicochemical properties

Solubility65.8 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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