AG007UCE

170569-88-7 | 4-[5-(4-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZENE-1-SULFONAMIDE

AG007UCE

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CAS Number	170569-88-7
Catalog Number	AG007UCE(AGN-PC-0Q9P0Y)
Chemical Name	4-[5-(4-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZENE-1-SULFONAMIDE
IUPAC Name	4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
InChI	InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChI Key	TTZNQDOUNXBMJV-UHFFFAOYSA-N
MDL Number	MFCD28138640
Molecular Formula	C16H11F4N3O2S
Molecular Weight	385.3361
SMILES	O=S(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(F)C=C3)C=C1)(N)=O
UNII	YFT7X7SR77
Synonyms	4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, mavacoxib, Mavacoxib, 170569-88-7, UNII-YFT7X7SR77, PHA-739521, YFT7X7SR77, CHEMBL28527, CHEBI:76207, PHA 739,521, 4-[5-(4-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZENE-1-SULFONAMIDE, 4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide, Mavacoxib [USAN:INN], mavacoxibum, 4-(5-(4-Fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide, Mavacoxib (USAN), SCHEMBL212699, CTK4D3615, DTXSID90168880, TTZNQDOUNXBMJV-UHFFFAOYSA-N, ZINC3814698, BDBM50057564, AKOS030241943, D04863, E-6113, 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]-benzenesulfonamide, Benzenesulfonamide, 4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-, Trocoxil, Mavacoxib [USAN], CID9843089, CS-O-10924, 4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide,

Complexity	579
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	385.051g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	385.337g/mol
Monoisotopic Mass	385.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H361-H373-H412
Packing Group	Ⅲ
Precautionary statements	P201-P202-P260-P281-P308+P313-P314-P405-P501
UN Code	UN 2811

Certificate of Analysis

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