N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

C74H45Cl4F11N16O12S4 — CID 159546290

About N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 159546290) has the molecular formula C74H45Cl4F11N16O12S4 and a molecular weight of 1829.33 g/mol. Its IUPAC name is N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
• PubChem CID: 159546290
• Molecular Formula: C74H45Cl4F11N16O12S4
• Molecular Weight: 1829.33 g/mol
• Exact Mass: 1826.09
• IUPAC Name: N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncnc(Cl)c34)c2F)cc1.O=C(c1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2ncnc(Cl)c12.O=C(c1c(F)ccc(NS(=O)(=O)c2ccccc2F)c1F)c1c[nH]c2ncnc(Cl)c12
• InChI: InChI=1S/C20H13ClF2N4O3S.C19H9ClF4N4O3S.C19H10ClF3N4O3S.C16H13ClF2N4O3S/c1-10-2-4-11(5-3-10)31(29,30)27-14-7-6-13(22)16(17(14)23)18(28)12-8-24-20-15(12)19(21)25-9-26-20;20-18-14-9(6-25-19(14)27-7-26-18)17(29)15-11(23)3-4-12(16(15)24)28-32(30,31)13-5-8(21)1-2-10(13)22;20-18-14-9(7-24-19(14)26-8-25-18)17(28)15-11(22)5-6-12(16(15)23)27-31(29,30)13-4-2-1-3-10(13)21;1-2-5-27(25,26)23-10-4-3-9(18)12(13(10)19)14(24)8-6-20-16-11(8)15(17)21-7-22-16/h2-9,27H,1H3,(H,24,25,26);1-7,28H,(H,25,26,27);1-8,27H,(H,24,25,26);3-4,6-7,23H,2,5H2,1H3,(H,20,21,22)
• InChIKey: MEVHWKPJQYBQAZ-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 419.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.33
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide (CID 159546290) is N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F.Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncnc(Cl)c34)c2F)cc1.O=C(c1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2ncnc(Cl)c12.O=C(c1c(F)ccc(NS(=O)(=O)c2ccccc2F)c1F)c1c[nH]c2ncnc(Cl)c12.

What is the InChIKey of N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide?

The InChIKey is MEVHWKPJQYBQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O3S.C19H9ClF4N4O3S.C19H10ClF3N4O3S.C16H13ClF2N4O3S/c1-10-2-4-11(5-3-10)31(29,30)27-14-7-6-13(22)16(17(14)23)18(28)12-8-24-20-15(12)19(21)25-9-26-20;20-18-14-9(6-25-19(14)27-7-26-18)17(29)15-11(23)3-4-12(16(15)24)28-32(30,31)13-5-8(21)1-2-10(13)22;20-18-14-9(7-24-19(14)26-8-25-18)17(28)15-11(22)5-6-12(16(15)23)27-31(29,30)13-4-2-1-3-10(13)21;1-2-5-27(25,26)23-10-4-3-9(18)12(13(10)19)14(24)8-6-20-16-11(8)15(17)21-7-22-16/h2-9,27H,1H3,(H,24,25,26);1-7,28H,(H,25,26,27);1-8,27H,(H,24,25,26);3-4,6-7,23H,2,5H2,1H3,(H,20,21,22).

What are the key properties of N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide?

N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 1829.33 g/mol, XLogP of 15.76, 21 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 159546290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).