Begacestat
5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
Molecular Identity
Begacestat
5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
PubChem CID: 11269353
2D Structure
Properties
C9H8ClF6NO3S2
Molecular Formula
391.70
Molecular Weight
g/mol
390.9538
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
103
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
463
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(SC(=C1)Cl)S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)FIsomeric SMILES
SMILES: C1=C(SC(=C1)Cl)S(=O)(=O)N[C@H](CO)C(C(F)(F)F)C(F)(F)FSynonyms(20)
Begacestat769169-27-9GSI-9535-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide3666C56BBUDTXSID002277105-Chloro-N-((1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl)thiophene-2-sulfonamidebegacestatum5-chloro-N-((2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl)thiophene-2-sulfonamide5-chloro-n-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]thiophene-2-sulfonamideRefChem:916805DTXCID50150201(S)-5-chloro-N-(4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl)thiophene-2-sulfonamide2-Thiophenesulfonamide, 5-chloro-N-((1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl)-Begacestat [USAN]
Data from PubChem (NCBI)
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