Vercirnon
4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide
Molecular Identity
Vercirnon
4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID: 10343454
2D Structure
Properties
C22H21ClN2O4S
Molecular Formula
444.90
Molecular Weight
g/mol
444.0911
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
97.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
687
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-]Isomeric SMILES
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-]Synonyms(20)
Vercirnon698394-73-9GSK-1605786GSK1605786MWI54OUA12CCX282CCX-282-B4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamideDTXSID50220135vercirnonum4-tert-butyl-N-(4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl)benzenesulfonamideRefChem:193977DTXCID501426264-(2-(4-tert-butylbenzenesulfonamido)-5-chlorobenzoyl)pyridin-1-ium-1-olateTraficet-EN
Data from PubChem (NCBI)
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