1-(4-Methanesulfonylaminophenyl)-3-azabicyclo[3.1.0]hexane-2,4dione

HCID 20038048

Notes Reactions

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Basic information

Standard SMILES: CS(=O)(=O)Nc1ccc(C23CC2C(=O)NC3=O)cc1
InChIKey: QWDYGHIYUVMWGJ-UHFFFAOYSA-N
Molecular formula: C12H12N2O4S
Average molar mass: 280.3 g/mol

Names & identifiers

Preferred name: 1-(4-Methanesulfonylaminophenyl)-3-azabicyclo[3.1.0]hexane-2,4dione
IUPAC: N-[4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]methanesulfonamide

Names & synonyms

CHEMBL5940947SCHEMBL10530160QWDYGHIYUVMWGJ-UHFFFAOYSA-NBDBM475096US10849982, Compd # 71-(4-Methanesulfonylaminophenyl)-3-azabicyclo[3.1.0]hexane-2,4dione

Database identifiers

PubChem CID: 20038048
ChEMBL: CHEMBL5940947

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 530

Related reactions

2 records

New reaction record

HRID 1564133As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1904797As productuspto-grants-1989_06

Compound notes

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