N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide

C35H31F8N7O7S2 — CID 158873587

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide (PubChem CID 158873587) has the molecular formula C35H31F8N7O7S2 and a molecular weight of 877.79 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide
• PubChem CID: 158873587
• Molecular Formula: C35H31F8N7O7S2
• Molecular Weight: 877.79 g/mol
• Exact Mass: 877.16
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide
• SMILES: CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cc(F)cc(F)c1.CCS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)F)cn1)c1cc(F)cc(F)c1
• InChI: InChI=1S/C18H17F4N3O4S.C17H14F4N4O3S/c1-2-30(28,29)25(15-6-12(19)5-13(20)7-15)10-14-4-3-11(8-23-14)16(26)9-24-18(27)17(21)22;1-2-29(26,27)25(14-6-11(18)5-12(19)7-14)9-13-4-3-10(8-22-13)16-23-24-17(28-16)15(20)21/h3-8,17H,2,9-10H2,1H3,(H,24,27);3-8,15H,2,9H2,1H3
• InChIKey: JCDNBBGNIVYCCU-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 185.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.79
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide (CID 158873587) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide.

What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide is CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cc(F)cc(F)c1.CCS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)F)cn1)c1cc(F)cc(F)c1.

What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide?

The InChIKey is JCDNBBGNIVYCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O4S.C17H14F4N4O3S/c1-2-30(28,29)25(15-6-12(19)5-13(20)7-15)10-14-4-3-11(8-23-14)16(26)9-24-18(27)17(21)22;1-2-29(26,27)25(14-6-11(18)5-12(19)7-14)9-13-4-3-10(8-22-13)16-23-24-17(28-16)15(20)21/h3-8,17H,2,9-10H2,1H3,(H,24,27);3-8,15H,2,9H2,1H3.

What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide?

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide has a molecular weight of 877.79 g/mol, XLogP of 5.98, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 158873587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).