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4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

HCID 178656175
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Basic information

CAS
489418-34-0
Standard SMILES
N#CC1=C(N)N(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C2=C(CCC2)C1(C(F)(F)F)C(F)(F)F
InChIKey
XPBQUFBHCFHSPQ-UHFFFAOYSA-N
Molecular formula
C20H15F6N5O2S2
Average molar mass
535.5 g/mol
Monoisotopic mass
535.05713606

Names & identifiers

Preferred name
4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
IUPAC
4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
English name
4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Molecular formula
C20H15F6N5O2S2
Molecular weight
535.4858192

Names & synonyms

MFCD02944863AKOS0016568604-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamideAG-389/140500474-[2-AMINO-3-CYANO-4,4-BIS(TRIFLUOROMETHYL)-1H,4H,5H,6H,7H-CYCLOPENTA[B]PYRIDIN-1-YL]-N-(1,3-THIAZOL-2-YL)BENZENE-1-SULFONAMIDE4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide4-[2-amino-3-cyano-4,4-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-1-yl]-N-1,3-thiazol-2-ylbenzenesulfonamide

Database identifiers

CAS
489418-34-0
PubChem CID
1046736

Properties

Computed structural propertiesFilling in

XLogP
4.5
Topological polar surface area
149 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
14
Rotatable bonds
4
Heavy atoms
35
Formal charge
0
Complexity
1,060

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