AG001W9L

165668-41-7 | 1,4-Benzenedisulfonamide, N1-(3-chloro-1H-indol-7-yl)-

AG001W9L

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CAS Number	165668-41-7
Catalog Number	AG001W9L(AGN-PC-0JN7O1)
Chemical Name	1,4-Benzenedisulfonamide, N1-(3-chloro-1H-indol-7-yl)-
IUPAC Name	4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
InChI	InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChI Key	SETFNECMODOHTO-UHFFFAOYSA-N
MDL Number	MFCD00945325
Molecular Formula	C14H12ClN3O4S2
Molecular Weight	385.8458
SMILES	O=S(C1=CC=C(S(=O)(N)=O)C=C1)(NC2=CC=CC3=C2NC=C3Cl)=O
UNII	WJ98J3NM90
Synonyms	E 7070, E-7070, E7070, indisulam, N-(3-chloro-7-indolyl)-1,4-benzenedisulfonamide, N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide, Indisulam, 165668-41-7, E7070, N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide, UNII-WJ98J3NM90, E 7070, E-7070, N-(3-Chloro-1H-indol-7-yl)-1,4-benzenedisulfonamide, CHEMBL77517, WJ98J3NM90, N1-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide, 1,4-Benzenedisulfonamide, N-(3-chloro-1H-indol-7-yl)-, ER-35744, N-(3-Chloro-1H-indol-7-yl)benzene-1,4disulfonamide, 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide, Indisulam (IND), indisulam (e7070), Indisulam (USAN/INN), AC1Q6VCX, AC1L50QL, SCHEMBL91389, Indisulam [USAN:INN:BAN], N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide, GTPL7046, Indisulam, >=98% (HPLC), BDBM10890, KS-00000GFC, DTXSID50168008, ZINC600748, BCP06110, AN-1497, API0002996, indisulam (e7070) (er-35744), QC-8282, SB16544, AK-61126, HY-13650, LS-30041, CS-0007710, FT-0740093, A12325, D04522, 668I417, 1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide, N4-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide, 1,4-Benzenedisulfonamide, N1-(3-chloro-1H-indol-7-yl)-, Sulfonamide, 7, Indisulam;E7070, COMPOUND 6, D04IIU, C14H12ClN3O4S2, AR-1J8475, CID216468, C14-H12-Cl-N3-O4-S2, N-(3-chloro-7-indolyl)-1,4-benzenedisulfonamide, C439829, N1-(3-Chloro-1H-indol-7-yl)-1,4-benzenedisulfonamide, 2015-56-7,

Complexity	651
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	384.996g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	385.837g/mol
Monoisotopic Mass	384.996g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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