ID 622

7-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3H-1,4-benzodiazepin-2-one

CAS: 33691-06-4

Molecular Formula	`C18H16ClFN2O3S`
Molecular Weight	394.8 g/mol
LogP	1.6
Topological Polar Surface Area	75.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	394.05542
Heavy Atoms	26
Complexity	664.0

Chemical Identifiers

CAS Number	33691-06-4
SMILES	`CS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F`
InChIKey	`JHSVIYYVRLIPDK-UHFFFAOYSA-N`

📖 Product Overview

ID 622 (CAS: 33691-06-4) is a chemical compound with molecular formula C18H16ClFN2O3S and molecular weight 394.8 g/mol. Its IUPAC systematic name is 7-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3H-1,4-benzodiazepin-2-one. LogP 1.6 Topological Polar Surface Area 75.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 394.05542 Heavy Atoms 26 Complexity 664.0 InChI Key: JHSVIYYVRLIPDK-UHFFFAOYSA-N. SMILES: CS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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