AG002QWA

252017-04-2 | 4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide

AG002QWA

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CAS Number	252017-04-2
Catalog Number	AG002QWA(AGN-PC-0WAN2O)
Chemical Name	4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide
IUPAC Name	4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide
InChI	InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
InChI Key	DTDZLJHKVNTQGZ-GOSISDBHSA-N
MDL Number	MFCD25976792
Molecular Formula	C19H18ClF3N2O5S
Molecular Weight	478.8698
SMILES	O=C(N(C)C)C1=CC=C(S(=O)(C2=CC=C(NC([C@@](C)(O)C(F)(F)F)=O)C(Cl)=C2)=O)C=C1
Synonyms	AZD 7545, AZD-7545, AZD7545, Nov3r compound, AZD7545, 252017-04-2, 4-[(3-Chloro-4-{[(2r)-3,3,3-Trifluoro-2-Hydroxy-2-Methylpropanoyl]amino}phenyl)sulfonyl]-N,N-Dimethylbenzamide, 4-{3-chloro-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamido]benzenesulfonyl}-N,N-dimethylbenzamide, DTDZLJHKVNTQGZ-GOSISDBHSA-N, AZD 7545, AZD-7545, 2q8g, Azd4575, C19H18ClF3N2O5S, GTPL9362, SCHEMBL6350247, CHEMBL1231132, AOB6866, 4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide, AZD-7547, BCP07524, EX-A1208, KS-00000RM2, ZINC1547088, 2244AH, MFCD25976792, s7517, AKOS027326647, AZD 7545;AZD-7545, CS-1740, DB07403, NCGC00250391-01, NCGC00250391-07, 4-[[3-Chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethylbenzamide, 4CA-0238, AK322219, BC600535, HY-16082, FT-0771872, A14157, BRD-K52836380-001-01-7, (R) - N - {2 - Chloro - 4 - [4 - (N,N - dimethylcarbamoyl)phenylsulphonyl]phenyl} - 2 - hydroxy - 2 - methyl - 3,3,3 - trifluoropropanamide, (R)-4-((3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)phenyl)sulfonyl)-N,N-dimethylbenzamide, (R)-N-[2-Chloro-4-[[4-(dimethylcarbamoyl)phenyl]sulfonyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, (R)-N-{2-Chloro-4-[4-(N,N-dimethylcarbamoyl)phenylsulphonyl]phenyl}-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide, AZX, Benzamide, 4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-, Nov3r compound, B1286, C523124, 1816294-67-3,

Complexity	778
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	478.058g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	478.867g/mol
Monoisotopic Mass	478.058g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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