AG0008W7

1135243-19-4 | 2,1,3-Benzothiadiazole-4-sulfonamide, N-[3-oxo-3-[4-(4-pyridinyl)-1-piperazinyl]propyl]-

AG0008W7

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CAS Number	1135243-19-4
Catalog Number	AG0008W7(AGN-PC-04QYKT)
Chemical Name	2,1,3-Benzothiadiazole-4-sulfonamide, N-[3-oxo-3-[4-(4-pyridinyl)-1-piperazinyl]propyl]-
IUPAC Name	N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
InChI	InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2
InChI Key	WXDHQWPQLKGANZ-UHFFFAOYSA-N
MDL Number	MFCD18086889
Molecular Formula	C18H20N6O3S2
Molecular Weight	432.5198
SMILES	O=S(C1=CC=CC2=NSN=C21)(NCCC(N3CCN(C4=CC=NC=C4)CC3)=O)=O
Synonyms	ML012, N-(3-oxo-3-(4-(pyridin-4-yl)piperazin-1-yl)propyl)benzo(c)(1,2,5)thiadiazole-4-sulfonamide, VU 0255035, VU-0255035, VU0255035, 1135243-19-4, VU 0255035, N-(3-Oxo-3-(4-(pyridin-4-yl)piperazin-1-yl)propyl)benzo[c][1,2,5]thiadiazole-4-sulfonamide, VU0255035, CHEMBL1628667, AK163845, N-[3-Oxo-3-[4-(4-pyridinyl)-1-piperazinyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide, GTPL3274, SCHEMBL2730708, CHEBI:93015, BDBM50362367, ZINC43207362, AKOS024457774, AX8294949, ST24048355, J-002979, BRD-K58033748-001-01-2, 2,1,3-Benzothiadiazole-4-sulfonamide, N-[3-oxo-3-[4-(4-pyridinyl)-1-piperazinyl]propyl]-, N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-7-sulfonamide, D02UNX, WXDHQWPQLKGANZ-UHFFFAOYSA-N, ML012, VU-0255035, C542801, N-(3-oxo-3-(4-(pyridin-4-yl)piperazin-1-yl)propyl)benzo(c)(1,2,5)thiadiazole-4-sulfonamide, N-(3-OXO-3-(4-(PYRIDIN-4-YL)PIPERAZIN-1-YL)PROPYL)BENZO[C][1,2,5]THIADIAZOLE-4-SULFONAMIDE HYDRATE,

Complexity	659
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	432.104g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	432.517g/mol
Monoisotopic Mass	432.104g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	145A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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