AG004W1X

84468-24-6 | Isoquinoline,5-(1-piperazinylsulfonyl)-

AG004W1X

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CAS Number	84468-24-6
Catalog Number	AG004W1X(AGN-PC-00L2ST)
Chemical Name	Isoquinoline,5-(1-piperazinylsulfonyl)-
IUPAC Name	5-piperazin-1-ylsulfonylisoquinoline
InChI	InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2
InChI Key	UPTYCYWTFGTCCG-UHFFFAOYSA-N
MDL Number	MFCD00209852
Molecular Formula	C13H15N3O2S
Molecular Weight	277.3421
SMILES	O=S(C1=CC=CC2=C1C=CN=C2)(N3CCNCC3)=O
Synonyms	1-(5-isoquinolinesulfonyl)piperazine, C-I-QP, 84468-24-6, 1-(5-Isoquinolinesulfonyl)piperazine, HA 100 (pharmaceutical), 5-(piperazin-1-ylsulfonyl)isoquinoline, 5-piperazin-1-ylsulfonylisoquinoline, C-1, 1-(5-Isoquinolinylsulfonyl)piperazine, CHEMBL75773, Isoquinoline,5-(1-piperazinylsulfonyl)-, Piperazine, 1-(5-isoquinolinylsulfonyl)-, C13H15N3O2S, IQSP, Tocris-0543, AC1Q6UWL, C-I-QP, AC1L1G6E, isoquinoline-5-sulfonamide 18, SCHEMBL1272907, BDBM15203, CHEBI:93271, CTK5F2377, BRD2751, DTXSID60233438, UPTYCYWTFGTCCG-UHFFFAOYSA-N, HA100, HMS3266K06, HMS3675C20, BRD-2751, HA 100, ZINC35024805, 1-(5-isoquinolinesulfonyl) piperazine, 5-(piperazine-1-sulfonyl)isoquinoline, AKOS009604745, 1-(5-Isoquinolinylsulfonyl)-piperazine, NCGC00024641-01, AN-35909, HY-100984, LS-112734, B6343, CS-0020664, Isoquinoline-5-sulfonic acid piperazin-1 ylamide, SR-01000597700, 1-(5-Isoquinolinesulfonyl)piperazine,dihydrochloride, SR-01000597700-1, BRD-K72462751-001-01-9, ha-100, CID3545, 1- PIPERAZINE,DIHYDROCHLORIDE, AR-1G5690, C13-H15-N3-O2-S, 1-(5-Isoquinolinesulfonyl)piperazine hydrochloride, 903-17-3,

Complexity	401
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.088g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	277.342g/mol
Monoisotopic Mass	277.088g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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