2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide

C102H91F3N16O10S11 — CID 167591361

IUPAC2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4cccs4)c3c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)c2)cc1.CS(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1.CSc1ccc(-c2cncc(NCc3cccs3)n2)cc1.Cc1ccc(Oc2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)cc1.NS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1
InChIInChI=1S/C19H15F3N2O3S.C19H16N2O2S2.C17H16N2O2S2.C16H15N3OS2.C16H15N3S2.C15H14N4O2S2/c1-12-3-7-14(8-4-12)27-18-23-16(11-17(24-18)19(20,21)22)13-5-9-15(10-6-13)28(2,25)26;1-25(22,23)17-6-4-14(5-7-17)15-11-19-18(20-12-15)8-9-21(19)13-16-3-2-10-24-16;1-23(20,21)17-6-4-13(5-7-17)14-9-15(11-18-10-14)19-12-16-3-2-8-22-16;1-22(20)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-21-13;1-20-13-6-4-12(5-7-13)15-10-17-11-16(19-15)18-9-14-3-2-8-21-14;16-23(20,21)13-5-3-11(4-6-13)14-9-17-10-15(19-14)18-8-12-2-1-7-22-12/h3-11H,1-2H3;2-12H,13H2,1H3;2-11,19H,12H2,1H3;2-8,10-11H,9H2,1H3,(H,18,19);2-8,10-11H,9H2,1H3,(H,18,19);1-7,9-10H,8H2,(H,18,19)(H2,16,20,21)
InChIKeyIMCDMVNBZGNSMU-UHFFFAOYSA-N
MW2110.68 g/mol
LogP23.27
Rot. Bonds28

About 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide

2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide (PubChem CID 167591361) has the molecular formula C102H91F3N16O10S11 and a molecular weight of 2110.68 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide
PubChem CID167591361
Molecular FormulaC102H91F3N16O10S11
Molecular Weight2110.68 g/mol
Exact Mass2108.40
IUPAC Name2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4cccs4)c3c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)c2)cc1.CS(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1.CSc1ccc(-c2cncc(NCc3cccs3)n2)cc1.Cc1ccc(Oc2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)cc1.NS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1
InChIInChI=1S/C19H15F3N2O3S.C19H16N2O2S2.C17H16N2O2S2.C16H15N3OS2.C16H15N3S2.C15H14N4O2S2/c1-12-3-7-14(8-4-12)27-18-23-16(11-17(24-18)19(20,21)22)13-5-9-15(10-6-13)28(2,25)26;1-25(22,23)17-6-4-14(5-7-17)15-11-19-18(20-12-15)8-9-21(19)13-16-3-2-10-24-16;1-23(20,21)17-6-4-13(5-7-17)14-9-15(11-18-10-14)19-12-16-3-2-8-22-16;1-22(20)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-21-13;1-20-13-6-4-12(5-7-13)15-10-17-11-16(19-15)18-9-14-3-2-8-21-14;16-23(20,21)13-5-3-11(4-6-13)14-9-17-10-15(19-14)18-8-12-2-1-7-22-12/h3-11H,1-2H3;2-12H,13H2,1H3;2-11,19H,12H2,1H3;2-8,10-11H,9H2,1H3,(H,18,19);2-8,10-11H,9H2,1H3,(H,18,19);1-7,9-10H,8H2,(H,18,19)(H2,16,20,21)
InChIKeyIMCDMVNBZGNSMU-UHFFFAOYSA-N
XLogP23.27
TPSA370.83 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002110.68
LogP ≤ 523.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-(3-methyl-1-benzothiophen-2-yl)-4-(5-methylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-(5,5,5-trifluoropentyl)benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(5-methylidene-4H-1,2-oxazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-4-(4-propylimidazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide;N-(3-methyl-1-benzothiophen-2-yl)-6-(4H-pyrazol-3-yl)-N-(5,5,5-trifluoropentyl)pyridine-3-sulfonamide
CID 161344490
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2,4-difluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-(1,1-difluoroethyl)benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-(methyl-methylidene-oxo-lambda6-sulfanyl)benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-phenylbenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-(trifluoromethoxy)benzenesulfonamide;methane
CID 161725704
4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;N-[(4-fluorophenyl)methyl]-1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenamine;N-[(4-fluorophenyl)methyl]-1-[4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethenamine;N-[1-[4-(6-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide
CID 161772886
4-[5-(4-Fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-methylsulfonylphenoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-thiophen-2-yloxypyrimidine
CID 88069739
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide;N-[2,4-difluoro-3-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide
CID 157069661
7-(3-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(4-methoxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(3-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(4-methylthiophen-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157304688
N,N-dimethyl-5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-amine;7-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-methoxy-5-methyl-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen
CID 157632458
N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(oxan-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-methyl-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 158009794
N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(oxan-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-methyl-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(1-methoxypropan-2-yl)-5-phenyl-2-pyridin-2-yl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 158289450
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;tris(N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,3-thiazol-2-yl)pyrimidin-4-amine)
CID 158926402
N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 159116736
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide
CID 159145242

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide (CID 167591361) is 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2cnc3ccn(Cc4cccs4)c3c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)c2)cc1.CS(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1.CSc1ccc(-c2cncc(NCc3cccs3)n2)cc1.Cc1ccc(Oc2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)cc1.NS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is IMCDMVNBZGNSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S.C19H16N2O2S2.C17H16N2O2S2.C16H15N3OS2.C16H15N3S2.C15H14N4O2S2/c1-12-3-7-14(8-4-12)27-18-23-16(11-17(24-18)19(20,21)22)13-5-9-15(10-6-13)28(2,25)26;1-25(22,23)17-6-4-14(5-7-17)15-11-19-18(20-12-15)8-9-21(19)13-16-3-2-10-24-16;1-23(20,21)17-6-4-13(5-7-17)14-9-15(11-18-10-14)19-12-16-3-2-8-22-16;1-22(20)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-21-13;1-20-13-6-4-12(5-7-13)15-10-17-11-16(19-15)18-9-14-3-2-8-21-14;16-23(20,21)13-5-3-11(4-6-13)14-9-17-10-15(19-14)18-8-12-2-1-7-22-12/h3-11H,1-2H3;2-12H,13H2,1H3;2-11,19H,12H2,1H3;2-8,10-11H,9H2,1H3,(H,18,19);2-8,10-11H,9H2,1H3,(H,18,19);1-7,9-10H,8H2,(H,18,19)(H2,16,20,21).
What are the key properties of 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide?
2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 2110.68 g/mol, XLogP of 23.27, 28 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 167591361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).