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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

[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[6397-33-7]
2-(Isopropylthio)aniline
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1597-32-6]
2-Amino-6-fluoropyridine

Halides

[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Piperazines

[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride
[1217482-26-2]
(R)-piperazin-2-ylmethanol dihydrochloride
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[55276-43-2]
1-Methanesulfonylpiperazine
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate
[104481-24-5]
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate

Sulfur Compounds

[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[60-23-1]
Cysteamine
[1353995-46-6]
(R)-1-((2,4-Dichlorophenyl)sulfonyl)pyrrolidin-3-ol
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt

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