N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide

C78H54Cl4F7N17O8S6 — CID 163846244

IUPACN-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccccc4)sc3-c3ccnc(NCCO)n3)c2F)c1F.Nc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1.O=S(=O)(Nc1cccc(-c2nc(-c3ccc(F)cn3)sc2-c2ccnc(NCCO)n2)c1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C28H22F3N5O3S2.C26H18Cl2F2N6O3S2.C24H14Cl2F2N6O2S2/c1-16-10-11-19(29)26(22(16)30)41(38,39)36-20-9-5-8-18(23(20)31)24-25(21-12-13-32-28(34-21)33-14-15-37)40-27(35-24)17-6-3-2-4-7-17;27-16-4-2-5-17(28)24(16)41(38,39)36-18-6-1-3-15(21(18)30)22-23(19-9-10-31-26(34-19)32-11-12-37)40-25(35-22)20-8-7-14(29)13-33-20;25-14-4-2-5-15(26)22(14)38(35,36)34-16-6-1-3-13(19(16)28)20-21(17-9-10-30-24(29)32-17)37-23(33-20)18-8-7-12(27)11-31-18/h2-13,36-37H,14-15H2,1H3,(H,32,33,34);1-10,13,36-37H,11-12H2,(H,31,32,34);1-11,34H,(H2,29,30,32)
InChIKeyOQKJEGLYMVGTDT-UHFFFAOYSA-N
MW1824.60 g/mol
LogP18.28
Rot. Bonds24

About N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide

N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 163846244) has the molecular formula C78H54Cl4F7N17O8S6 and a molecular weight of 1824.60 g/mol. Its IUPAC name is N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
PubChem CID163846244
Molecular FormulaC78H54Cl4F7N17O8S6
Molecular Weight1824.60 g/mol
Exact Mass1821.13
IUPAC NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccccc4)sc3-c3ccnc(NCCO)n3)c2F)c1F.Nc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1.O=S(=O)(Nc1cccc(-c2nc(-c3ccc(F)cn3)sc2-c2ccnc(NCCO)n2)c1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C28H22F3N5O3S2.C26H18Cl2F2N6O3S2.C24H14Cl2F2N6O2S2/c1-16-10-11-19(29)26(22(16)30)41(38,39)36-20-9-5-8-18(23(20)31)24-25(21-12-13-32-28(34-21)33-14-15-37)40-27(35-24)17-6-3-2-4-7-17;27-16-4-2-5-17(28)24(16)41(38,39)36-18-6-1-3-15(21(18)30)22-23(19-9-10-31-26(34-19)32-11-12-37)40-25(35-22)20-8-7-14(29)13-33-20;25-14-4-2-5-15(26)22(14)38(35,36)34-16-6-1-3-13(19(16)28)20-21(17-9-10-30-24(29)32-17)37-23(33-20)18-8-7-12(27)11-31-18/h2-13,36-37H,14-15H2,1H3,(H,32,33,34);1-10,13,36-37H,11-12H2,(H,31,32,34);1-11,34H,(H2,29,30,32)
InChIKeyOQKJEGLYMVGTDT-UHFFFAOYSA-N
XLogP18.28
TPSA370.84 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001824.60
LogP ≤ 518.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide (CID 163846244) is N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(-c4ccccc4)sc3-c3ccnc(NCCO)n3)c2F)c1F.Nc1nccc(-c2sc(-c3ccc(F)cn3)nc2-c2cccc(NS(=O)(=O)c3c(Cl)cccc3Cl)c2F)n1.O=S(=O)(Nc1cccc(-c2nc(-c3ccc(F)cn3)sc2-c2ccnc(NCCO)n2)c1F)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is OQKJEGLYMVGTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N5O3S2.C26H18Cl2F2N6O3S2.C24H14Cl2F2N6O2S2/c1-16-10-11-19(29)26(22(16)30)41(38,39)36-20-9-5-8-18(23(20)31)24-25(21-12-13-32-28(34-21)33-14-15-37)40-27(35-24)17-6-3-2-4-7-17;27-16-4-2-5-17(28)24(16)41(38,39)36-18-6-1-3-15(21(18)30)22-23(19-9-10-31-26(34-19)32-11-12-37)40-25(35-22)20-8-7-14(29)13-33-20;25-14-4-2-5-15(26)22(14)38(35,36)34-16-6-1-3-13(19(16)28)20-21(17-9-10-30-24(29)32-17)37-23(33-20)18-8-7-12(27)11-31-18/h2-13,36-37H,14-15H2,1H3,(H,32,33,34);1-10,13,36-37H,11-12H2,(H,31,32,34);1-11,34H,(H2,29,30,32).
What are the key properties of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide?
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 1824.60 g/mol, XLogP of 18.28, 24 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide;2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 163846244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).