N-[1-(2-Chlorobenzoyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide

HCID 46229727

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 915759-59-0
Standard SMILES: O=C(c1ccccc1Cl)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
InChIKey: ZMBNIOOXNAOASY-UHFFFAOYSA-N
Molecular formula: C25H22ClF3N2O5S2
Average molar mass: 587 g/mol
Monoisotopic mass: 586.0610763

Names & identifiers

Preferred name: N-[1-(2-Chlorobenzoyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
IUPAC: 5-(benzenesulfonyl)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide

Names & synonyms

CHEMBL589331N-[1-(2-Chlorobenzoyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamideSCHEMBL4669329ZMBNIOOXNAOASY-UHFFFAOYSA-NDTXSID201117773BDBM50308682915759-59-05-(Benzenesulfonyl)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzene-1-sulfonamideN-[1-(2-Chlorobenzoyl)-4-piperidinyl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide

Database identifiers

CAS: 915759-59-0
PubChem CID: 46229727
DTXSID: DTXSID201117773
ChEMBL: CHEMBL589331

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 117 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 6
Heavy atoms: 38
Formal charge: 0
Complexity: 1,030

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…