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N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide

N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide - CAS 2171065-77-1

Catalog:	BB054794
Product Name:	N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
CAS:	2171065-77-1
Synonyms:	CID 139388677

Technical Data

Computed Properties

IUPAC Name:	1-N-[2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
Molecular Weight:	553.1
Molecular Formula:	C24H26ClFN4O4S2
Canonical SMILES:	CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3CCN(CC3)C4=C(C=C(C=C4)Cl)F
InChI:	InChI=1S/C24H26ClFN4O4S2/c1-28(2)36(33,34)20-10-8-19(9-11-20)35(31,32)27-22-5-3-4-6-24(22)30-15-13-29(14-16-30)23-12-7-18(25)17-21(23)26/h3-12,17,27H,13-16H2,1-2H3
InChI Key:	YAZGOSKDIGLBNA-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[17583-40-3]
2-(Methylamino)benzonitrile

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Piperazines

[25629-32-7]
(3-Oxopiperazin-1-yl)acetic acid
[55513-17-2]
1-(3,4-Dichlorobenzyl)piperazine
[104481-24-5]
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[2171065-77-1]
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[243128-46-3]
1-(4-Fluoro-2-nitrophenyl)piperazine
[84477-72-5]
2,2-Dimethylpiperazine

Sulfur Compounds

[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[21124-33-4]
Ammonium diethyldithiocarbamate
[52147-97-4]
trans-β-Styrenesulfonyl chloride
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[13206-50-3]
2-Isopropyl-5,5-dimethylthiazolidine-4-carbonitrile

Complexity:	927
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	552.1068035000001
Formal Charge:	0
Heavy Atom Count:	36
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	552.1068035000001
Rotatable Bond Count:	7
Topological Polar Surface Area:	107
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4