2,6-dichloro-N-[(2S)-1-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

HCID 16248337

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Basic information

CAS: 956767-33-2
Standard SMILES: C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NNC(=O)COc1ccccc1F
InChIKey: NKKAFINLRWLFFO-JTQLQIEISA-N
Molecular formula: C17H16Cl2FN3O5S
Average molar mass: 464.3 g/mol
Monoisotopic mass: 463.0171753

Names & identifiers

Preferred name: 2,6-dichloro-N-[(2S)-1-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
IUPAC: 2,6-dichloro-N-[(2S)-1-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

Names & synonyms

MLS002245446CHEMBL1717336DTXSID901332655HMS3057N07AKOS0348287982,6-dichloro-N-[(2S)-1-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide956767-33-2SMR001309098Z901246352,6-Dichloro-N-[(2S)-1-{2-[(2-fluorophenoxy)acetyl]hydrazinyl}-1-oxopropan-2-yl]benzene-1-sulfonamide

Database identifiers

CAS: 956767-33-2
PubChem CID: 16248337
DTXSID: DTXSID901332655
ChEMBL: CHEMBL1717336

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 122 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 668

Experimental & physicochemical properties

Solubility59.8 [ug/mL] (The mean of the results at pH 7.4)

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