4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide

C102H72ClF16N35O10S5 — CID 158743856

About 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide

4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 158743856) has the molecular formula C102H72ClF16N35O10S5 and a molecular weight of 2447.69 g/mol. Its IUPAC name is 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
• PubChem CID: 158743856
• Molecular Formula: C102H72ClF16N35O10S5
• Molecular Weight: 2447.69 g/mol
• Exact Mass: 2445.42
• IUPAC Name: 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
• SMILES: C=CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CC(F)(F)F)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCC(F)(F)F)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)C1CC1c1ccccc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1ccc(Cl)cc1
• InChI: InChI=1S/C25H19F2N7O2S.C22H14ClF2N7O2S.C19H14F5N7O2S.C18H12F5N7O2S.C18H13F2N7O2S/c26-17-8-9-18(34-37(35,36)19-11-16(19)14-5-2-1-3-6-14)20(27)22(17)33-24-15(7-4-10-28-24)21-23-25(31-12-29-21)32-13-30-23;23-12-3-5-13(6-4-12)35(33,34)32-16-8-7-15(24)19(17(16)25)31-21-14(2-1-9-26-21)18-20-22(29-10-27-18)30-11-28-20;20-11-3-4-12(31-34(32,33)7-5-19(22,23)24)13(21)15(11)30-17-10(2-1-6-25-17)14-16-18(28-8-26-14)29-9-27-16;19-10-3-4-11(30-33(31,32)6-18(21,22)23)12(20)14(10)29-16-9(2-1-5-24-16)13-15-17(27-7-25-13)28-8-26-15;1-2-30(28,29)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16/h1-10,12-13,16,19,34H,11H2,(H,28,33)(H,29,30,31,32);1-11,32H,(H,26,31)(H,27,28,29,30);1-4,6,8-9,31H,5,7H2,(H,25,30)(H,26,27,28,29);1-5,7-8,30H,6H2,(H,24,29)(H,25,26,27,28);2-9,27H,1H2,(H,21,26)(H,22,23,24,25)
• InChIKey: IMQGBKXAENJVAC-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 627.75 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.69
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide?

The IUPAC name of 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide (CID 158743856) is 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide.

What is the SMILES notation for 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide?

The canonical SMILES for 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide is C=CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CC(F)(F)F)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(CCC(F)(F)F)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)C1CC1c1ccccc1.O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide?

The InChIKey is IMQGBKXAENJVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N7O2S.C22H14ClF2N7O2S.C19H14F5N7O2S.C18H12F5N7O2S.C18H13F2N7O2S/c26-17-8-9-18(34-37(35,36)19-11-16(19)14-5-2-1-3-6-14)20(27)22(17)33-24-15(7-4-10-28-24)21-23-25(31-12-29-21)32-13-30-23;23-12-3-5-13(6-4-12)35(33,34)32-16-8-7-15(24)19(17(16)25)31-21-14(2-1-9-26-21)18-20-22(29-10-27-18)30-11-28-20;20-11-3-4-12(31-34(32,33)7-5-19(22,23)24)13(21)15(11)30-17-10(2-1-6-25-17)14-16-18(28-8-26-14)29-9-27-16;19-10-3-4-11(30-33(31,32)6-18(21,22)23)12(20)14(10)29-16-9(2-1-5-24-16)13-15-17(27-7-25-13)28-8-26-15;1-2-30(28,29)27-12-6-5-11(19)15(13(12)20)26-17-10(4-3-7-21-17)14-16-18(24-8-22-14)25-9-23-16/h1-10,12-13,16,19,34H,11H2,(H,28,33)(H,29,30,31,32);1-11,32H,(H,26,31)(H,27,28,29,30);1-4,6,8-9,31H,5,7H2,(H,25,30)(H,26,27,28,29);1-5,7-8,30H,6H2,(H,24,29)(H,25,26,27,28);2-9,27H,1H2,(H,21,26)(H,22,23,24,25).

What are the key properties of 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide?

4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 2447.69 g/mol, XLogP of 20.82, 32 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;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]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 158743856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).