6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide

C50H48F10N12O10S2 — CID 167313532

About 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide

6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide (PubChem CID 167313532) has the molecular formula C50H48F10N12O10S2 and a molecular weight of 1231.12 g/mol. Its IUPAC name is 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide.

Molecular Properties

• Compound Name: 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide
• PubChem CID: 167313532
• Molecular Formula: C50H48F10N12O10S2
• Molecular Weight: 1231.12 g/mol
• Exact Mass: 1230.29
• IUPAC Name: 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide
• SMILES: COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)c2cncc(N(C(=O)c3cc(C(F)(F)F)cnc3N3CCC(F)(F)CC3)N(C(=O)c3cc(C(F)(F)F)cnc3N3CCC(F)(F)CC3)c3cncc(S(N)(=O)=O)n3)n2)c(OC)c1
• InChI: InChI=1S/C50H48F10N12O10S2/c1-79-33-7-5-29(37(19-33)81-3)27-70(28-30-6-8-34(80-2)20-38(30)82-4)84(77,78)42-26-63-24-40(67-42)72(46(74)36-18-32(50(58,59)60)22-65-44(36)69-15-11-48(53,54)12-16-69)71(39-23-62-25-41(66-39)83(61,75)76)45(73)35-17-31(49(55,56)57)21-64-43(35)68-13-9-47(51,52)10-14-68/h5-8,17-26H,9-16,27-28H2,1-4H3,(H2,61,75,76)
• InChIKey: ZGIHVNLHLWXIDT-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 258.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1231.12
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide?

The IUPAC name of 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide (CID 167313532) is 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide.

What is the SMILES notation for 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide?

The canonical SMILES for 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)c2cncc(N(C(=O)c3cc(C(F)(F)F)cnc3N3CCC(F)(F)CC3)N(C(=O)c3cc(C(F)(F)F)cnc3N3CCC(F)(F)CC3)c3cncc(S(N)(=O)=O)n3)n2)c(OC)c1.

What is the InChIKey of 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide?

The InChIKey is ZGIHVNLHLWXIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48F10N12O10S2/c1-79-33-7-5-29(37(19-33)81-3)27-70(28-30-6-8-34(80-2)20-38(30)82-4)84(77,78)42-26-63-24-40(67-42)72(46(74)36-18-32(50(58,59)60)22-65-44(36)69-15-11-48(53,54)12-16-69)71(39-23-62-25-41(66-39)83(61,75)76)45(73)35-17-31(49(55,56)57)21-64-43(35)68-13-9-47(51,52)10-14-68/h5-8,17-26H,9-16,27-28H2,1-4H3,(H2,61,75,76).

What are the key properties of 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide?

6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide has a molecular weight of 1231.12 g/mol, XLogP of 7.55, 17 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[6-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]pyrazin-2-yl]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]pyrazine-2-sulfonamide is sourced from PubChem (CID 167313532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).