AG002H14

188591-46-0 | Benzamide, 4-chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-

AG002H14

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CAS Number	188591-46-0
Catalog Number	AG002H14(AGN-PC-0KLB7R)
Chemical Name	Benzamide, 4-chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-
IUPAC Name	4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
InChI	InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
InChI Key	JFUIMTGOQCQTPF-UHFFFAOYSA-N
MDL Number	MFCD00099612
Molecular Formula	C15H12ClF3N2O3S
Molecular Weight	392.7806
SMILES	O=C(NCCS(=O)(C1=NC=C(C(F)(F)F)C=C1)=O)C2=CC=C(Cl)C=C2
Synonyms	4-chloro-N-(2-((5-trifluoromethyl-2-pyridyl)sulfonyl)ethyl)benzamide, GSK 3787, GSK-3787, GSK3787, GSK3787, 188591-46-0, GSK 3787, GSK-3787, 4-Chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide, CHEMBL598608, MFCD00099612, AK174917, Benzamide, 4-chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-, 4-Chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide, 4-chloro-N-(2-(5-(trifluoromethyl)pyridin-2-ylsulfonyl)ethyl)benzamide, 4-Chloro-N-[2-[[5-(trifluoromethyl-2-pyridinyl]sulfonyl]ethyl]benzamide, 4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide, Maybridge3_000547, AC1MCTIO, C15H12ClF3N2O3S, MLS006012025, SCHEMBL14968834, CTK8E8261, KS-00000XJC, AOB6285, DTXSID00384175, EX-A704, QCR-146, HMS1432I19, HMS3653J21, BCP07113, ZINC1024901, BDBM50415440, CCG-54773, s8025, AKOS024457898, AM81236, CS-1262, MCULE-6253494601, SB19571, IDI1_011934, NCGC00263111-01, AS-16944, BC600346, DA-08845, HY-15577, SMR001815102, AB0035960, RT-013121, FT-0737236, SW219870-1, Y0453, A12391, S-7722, J-012157, SR-01000643844-1, GSK3787, >=98% (HPLC), white to off-white, powder, N1-(2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)-4-chlorobenzamide, D0NM0G, CID2800647, A4303, C547957, 4-chloro-N-(2-((5-trifluoromethyl-2-pyridyl)sulfonyl)ethyl)benzamide,

Complexity	557
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	392.021g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	392.777g/mol
Monoisotopic Mass	392.021g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	84.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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