N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane

C98H95F9N12O20S4 — CID 159860741

About N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane

N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane (PubChem CID 159860741) has the molecular formula C98H95F9N12O20S4 and a molecular weight of 2060.15 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane
• PubChem CID: 159860741
• Molecular Formula: C98H95F9N12O20S4
• Molecular Weight: 2060.15 g/mol
• Exact Mass: 2058.55
• IUPAC Name: N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane
• SMILES: C.COCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.COCCOc1cnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.COCCOc1cnc2[nH]cc(C(OC)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.COCCOc1cnc2[nH]cc(C(OC)c3c(F)ccc(NS(=O)(=O)c4cccc(F)c4)c3F)c2c1
• InChI: InChI=1S/C25H25F2N3O5S.C24H22F3N3O5S.C24H23F2N3O5S.C24H21F2N3O5S.CH4/c1-15-4-6-17(7-5-15)36(31,32)30-21-9-8-20(26)22(23(21)27)24(34-3)19-14-29-25-18(19)12-16(13-28-25)35-11-10-33-2;1-33-8-9-35-15-11-17-18(13-29-24(17)28-12-15)23(34-2)21-19(26)6-7-20(22(21)27)30-36(31,32)16-5-3-4-14(25)10-16;2*1-14-3-5-16(6-4-14)35(31,32)29-20-8-7-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)34-10-9-33-2;/h4-9,12-14,24,30H,10-11H2,1-3H3,(H,28,29);3-7,10-13,23,30H,8-9H2,1-2H3,(H,28,29);3-8,11-13,23,29-30H,9-10H2,1-2H3,(H,27,28);3-8,11-13,29H,9-10H2,1-2H3,(H,27,28);1H4
• InChIKey: NRCMFHVUOLEILC-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 429.00 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2060.15
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane?

The IUPAC name of N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane (CID 159860741) is N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane.

What is the SMILES notation for N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane?

The canonical SMILES for N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane is C.COCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.COCCOc1cnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.COCCOc1cnc2[nH]cc(C(OC)c3c(F)ccc(NS(=O)(=O)c4ccc(C)cc4)c3F)c2c1.COCCOc1cnc2[nH]cc(C(OC)c3c(F)ccc(NS(=O)(=O)c4cccc(F)c4)c3F)c2c1.

What is the InChIKey of N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane?

The InChIKey is NRCMFHVUOLEILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O5S.C24H22F3N3O5S.C24H23F2N3O5S.C24H21F2N3O5S.CH4/c1-15-4-6-17(7-5-15)36(31,32)30-21-9-8-20(26)22(23(21)27)24(34-3)19-14-29-25-18(19)12-16(13-28-25)35-11-10-33-2;1-33-8-9-35-15-11-17-18(13-29-24(17)28-12-15)23(34-2)21-19(26)6-7-20(22(21)27)30-36(31,32)16-5-3-4-14(25)10-16;2*1-14-3-5-16(6-4-14)35(31,32)29-20-8-7-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)34-10-9-33-2;/h4-9,12-14,24,30H,10-11H2,1-3H3,(H,28,29);3-7,10-13,23,30H,8-9H2,1-2H3,(H,28,29);3-8,11-13,23,29-30H,9-10H2,1-2H3,(H,27,28);3-8,11-13,29H,9-10H2,1-2H3,(H,27,28);1H4.

What are the key properties of N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane?

N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane has a molecular weight of 2060.15 g/mol, XLogP of 18.15, 38 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[hydroxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-3-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[methoxy-[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]phenyl]-4-methylbenzenesulfonamide;methane is sourced from PubChem (CID 159860741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).