N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide

C80H72F11N15O6S6 — CID 163792371

About N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide

N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide (PubChem CID 163792371) has the molecular formula C80H72F11N15O6S6 and a molecular weight of 1740.93 g/mol. Its IUPAC name is N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide
• PubChem CID: 163792371
• Molecular Formula: C80H72F11N15O6S6
• Molecular Weight: 1740.93 g/mol
• Exact Mass: 1739.39
• IUPAC Name: N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide
• SMILES: CCc1nccc(-c2sc(N3CCC(F)(F)C3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.CCc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.O=S(=O)(Nc1cccc(-c2nc(N3CCCCC3)sc2-c2ccnc(CC3CC3)n2)c1F)c1c(F)cccc1F
• InChI: InChI=1S/C28H26F3N5O2S2.C27H26F3N5O2S2.C25H20F5N5O2S2/c29-19-7-5-8-20(30)27(19)40(37,38)35-21-9-4-6-18(24(21)31)25-26(39-28(34-25)36-14-2-1-3-15-36)22-12-13-32-23(33-22)16-17-10-11-17;1-3-21-31-13-12-20(32-21)25-24(33-27(38-25)35-14-5-4-6-15-35)17-8-7-9-19(23(17)30)34-39(36,37)26-18(28)11-10-16(2)22(26)29;1-2-19-31-11-9-18(32-19)22-21(33-24(38-22)35-12-10-25(29,30)13-35)14-5-3-8-17(20(14)28)34-39(36,37)23-15(26)6-4-7-16(23)27/h4-9,12-13,17,35H,1-3,10-11,14-16H2;7-13,34H,3-6,14-15H2,1-2H3;3-9,11,34H,2,10,12-13H2,1H3
• InChIKey: MXXCKGXEUYQGSW-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 264.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1740.93
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide?

The IUPAC name of N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide (CID 163792371) is N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide.

What is the SMILES notation for N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide?

The canonical SMILES for N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide is CCc1nccc(-c2sc(N3CCC(F)(F)C3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.CCc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(NS(=O)(=O)c3c(F)ccc(C)c3F)c2F)n1.O=S(=O)(Nc1cccc(-c2nc(N3CCCCC3)sc2-c2ccnc(CC3CC3)n2)c1F)c1c(F)cccc1F.

What is the InChIKey of N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide?

The InChIKey is MXXCKGXEUYQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5O2S2.C27H26F3N5O2S2.C25H20F5N5O2S2/c29-19-7-5-8-20(30)27(19)40(37,38)35-21-9-4-6-18(24(21)31)25-26(39-28(34-25)36-14-2-1-3-15-36)22-12-13-32-23(33-22)16-17-10-11-17;1-3-21-31-13-12-20(32-21)25-24(33-27(38-25)35-14-5-4-6-15-35)17-8-7-9-19(23(17)30)34-39(36,37)26-18(28)11-10-16(2)22(26)29;1-2-19-31-11-9-18(32-19)22-21(33-24(38-22)35-12-10-25(29,30)13-35)14-5-3-8-17(20(14)28)34-39(36,37)23-15(26)6-4-7-16(23)27/h4-9,12-13,17,35H,1-3,10-11,14-16H2;7-13,34H,3-6,14-15H2,1-2H3;3-9,11,34H,2,10,12-13H2,1H3.

What are the key properties of N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide?

N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide has a molecular weight of 1740.93 g/mol, XLogP of 18.67, 22 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[2-(cyclopropylmethyl)pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[2-(3,3-difluoropyrrolidin-1-yl)-5-(2-ethylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-ethylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 163792371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).