4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

C102H98F9N19O10S7 — CID 158442554

IUPAC4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCc2ccc3ncsc3c2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(NCc2ccccc2C(F)(F)F)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nc2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(CCc2ccc3scnc3c2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C24H21F3N4O2S.C20H20F3N3O2S.2C20H20N4O2S2.C18H17F3N4O2S/c1-2-34(32,33)19-9-10-21(30-23-11-8-18(13-28-23)24(25,26)27)20(12-19)22-15-31(16-29-22)14-17-6-4-3-5-7-17;1-3-29(27,28)15-8-9-18(16(10-15)19-12-26(2)13-25-19)24-11-14-6-4-5-7-17(14)20(21,22)23;1-21-28(25,26)16-7-6-15(17(10-16)19-11-24(2)12-22-19)5-3-14-4-8-20-18(9-14)23-13-27-20;1-3-28(25,26)15-5-7-17(16(9-15)19-11-24(2)12-22-19)21-10-14-4-6-18-20(8-14)27-13-23-18;1-3-28(26,27)13-5-6-15(14(8-13)16-10-25(2)11-23-16)24-12-4-7-17(22-9-12)18(19,20)21/h3-13,15-16H,2,14H2,1H3,(H,28,30);4-10,12-13,24H,3,11H2,1-2H3;4,6-13,21H,3,5H2,1-2H3;4-9,11-13,21H,3,10H2,1-2H3;4-11,24H,3H2,1-2H3
InChIKeyHCZLLWUGTWPUQW-UHFFFAOYSA-N
MW2145.48 g/mol
LogP21.59
Rot. Bonds30

About 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 158442554) has the molecular formula C102H98F9N19O10S7 and a molecular weight of 2145.48 g/mol. Its IUPAC name is 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID158442554
Molecular FormulaC102H98F9N19O10S7
Molecular Weight2145.48 g/mol
Exact Mass2143.56
IUPAC Name4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCc2ccc3ncsc3c2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(NCc2ccccc2C(F)(F)F)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nc2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(CCc2ccc3scnc3c2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C24H21F3N4O2S.C20H20F3N3O2S.2C20H20N4O2S2.C18H17F3N4O2S/c1-2-34(32,33)19-9-10-21(30-23-11-8-18(13-28-23)24(25,26)27)20(12-19)22-15-31(16-29-22)14-17-6-4-3-5-7-17;1-3-29(27,28)15-8-9-18(16(10-15)19-12-26(2)13-25-19)24-11-14-6-4-5-7-17(14)20(21,22)23;1-21-28(25,26)16-7-6-15(17(10-16)19-11-24(2)12-22-19)5-3-14-4-8-20-18(9-14)23-13-27-20;1-3-28(25,26)15-5-7-17(16(9-15)19-11-24(2)12-22-19)21-10-14-4-6-18-20(8-14)27-13-23-18;1-3-28(26,27)13-5-6-15(14(8-13)16-10-25(2)11-23-16)24-12-4-7-17(22-9-12)18(19,20)21/h3-13,15-16H,2,14H2,1H3,(H,28,30);4-10,12-13,24H,3,11H2,1-2H3;4,6-13,21H,3,5H2,1-2H3;4-9,11-13,21H,3,10H2,1-2H3;4-11,24H,3H2,1-2H3
InChIKeyHCZLLWUGTWPUQW-UHFFFAOYSA-N
XLogP21.59
TPSA371.51 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002145.48
LogP ≤ 521.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline with MolForge

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Related Compounds

N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;(1R)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[2-(1-methylimidazol-4-yl)-4-methylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 157173167
N-[2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylphenyl]-4-(trifluoromethyl)pyridin-2-amine;(1S)-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;N-[4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)phenyl]-4-(trifluoromethyl)pyridin-2-amine;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2R)-2-phenylbutyl]benzenesulfonamide
CID 157539772
N-[1-[3-(1,1-difluoroethyl)phenyl]ethyl]-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;4-(2,3-dihydro-1H-inden-1-ylamino)-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline;N-methyl-3-(1-methylimidazol-4-yl)-4-(2-phenylbutyl)benzenesulfonamide
CID 157984840
4-[3-(amino-methylidene-oxo-lambda6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 158567433
5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 159363475
6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 159817365
3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-[(3R)-3-aminopyrrolidin-3-yl]phenyl]-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-[(3S)-3-aminopyrrolidin-3-yl]phenyl]-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclobutylmethyl)-3-imidazo[1,2-a]pyridin-3-yl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 160278369
5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[(1R)-1-phenylethyl]pyridin-2-amine;5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-4-(trifluoromethyl)pyridin-2-amine;5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 161588099
3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-[(3R)-3-aminopyrrolidin-3-yl]phenyl]-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclobutylmethyl)-3-imidazo[1,2-a]pyridin-3-yl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine;(3S)-3-[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-amine
CID 161689629
2-(4-Fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-phenylphenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,1,3-benzothiadiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzothiazole;2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,4-dihydro-1,3,5-triazine;2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]pyrimidine;1-(propan-2-ylsulfonylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 161831404
1-tert-butyl-4-propan-2-ylbenzene;1-cyclopropyl-4-(1,1-difluoroethylsulfonyl)benzene;1-(1,1-difluoroethylsulfanyl)-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2,4-dimethyl-1-propan-2-ylbenzene;1-(1-fluoroethyl)-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;5-methyl-2-propan-2-ylpyridine;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-4-(1,1,2,2-tetrafluoropropyl)benzene
CID 167708509
4-(benzylamino)-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-benzyl-2-(1-cyclopropylimidazol-4-yl)-4-ethylsulfonylaniline;N-benzyl-4-ethylsulfonyl-2-(1-propan-2-ylimidazol-4-yl)aniline;N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline;3-(1-methylimidazol-4-yl)-4-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
CID 168388101

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (CID 158442554) is 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is CCS(=O)(=O)c1ccc(NCc2ccc3ncsc3c2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(NCc2ccccc2C(F)(F)F)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)nc2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(CCc2ccc3scnc3c2)c(-c2cn(C)cn2)c1.
What is the InChIKey of 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is HCZLLWUGTWPUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S.C20H20F3N3O2S.2C20H20N4O2S2.C18H17F3N4O2S/c1-2-34(32,33)19-9-10-21(30-23-11-8-18(13-28-23)24(25,26)27)20(12-19)22-15-31(16-29-22)14-17-6-4-3-5-7-17;1-3-29(27,28)15-8-9-18(16(10-15)19-12-26(2)13-25-19)24-11-14-6-4-5-7-17(14)20(21,22)23;1-21-28(25,26)16-7-6-15(17(10-16)19-11-24(2)12-22-19)5-3-14-4-8-20-18(9-14)23-13-27-20;1-3-28(25,26)15-5-7-17(16(9-15)19-11-24(2)12-22-19)21-10-14-4-6-18-20(8-14)27-13-23-18;1-3-28(26,27)13-5-6-15(14(8-13)16-10-25(2)11-23-16)24-12-4-7-17(22-9-12)18(19,20)21/h3-13,15-16H,2,14H2,1H3,(H,28,30);4-10,12-13,24H,3,11H2,1-2H3;4,6-13,21H,3,5H2,1-2H3;4-9,11-13,21H,3,10H2,1-2H3;4-11,24H,3H2,1-2H3.
What are the key properties of 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 2145.48 g/mol, XLogP of 21.59, 30 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzothiazol-5-yl)ethyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline;N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 158442554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).