AG003SN7

1112980-86-5 | N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]aMino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetaMide

AG003SN7

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CAS Number	1112980-86-5
Catalog Number	AG003SN7(AGN-PC-08XU5N)
Chemical Name	N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]aMino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetaMide
IUPAC Name	N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide
InChI	InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
InChI Key	YGBMCLDVRUGXOV-UHFFFAOYSA-N
MDL Number	MFCD19443166
Molecular Formula	C20H14ClFN4O3S2
Molecular Weight	476.9316
SMILES	CC(=O)Nc1nc2c(s1)cc(cc2)c1cnc(c(c1)NS(=O)(=O)c1ccc(cc1)F)Cl
Synonyms	CFBT-acetamide, N-(6-(6-chloro-5-(4-fluorophenylsulfonamido)pyridin-3-yl)benzo(d)thiazol-2-yl)acetamide, 1112980-86-5, N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide, N-(6-(6-Chloro-5-(4-fluorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide, CHEMBL1615189, N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide, N-[6-(6-Chloro-5-{[(4-Fluorophenyl)sulfonyl]amino}pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide, 3qk0, GTPL8805, SCHEMBL1621328, YGBMCLDVRUGXOV-UHFFFAOYSA-N, BCP09590, EX-A1743, KS-000000PF, BDBM50343200, MFCD19443166, ZINC64744203, AKOS028110058, compound 82 [PMID: 21332118], QC-11622, N-[6-[6-chloro-5-[[(4-fluorophenyl)sulfonyl]amino]-3-pyridinyl]-2-benzothiazolyl]acetamide, QK0, GSK126, 123663-49-0,

Complexity	747
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	476.018g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	476.925g/mol
Monoisotopic Mass	476.018g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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