N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide

C35H29Cl2F6N5O7S2 — CID 159773578

About N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide

N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide (PubChem CID 159773578) has the molecular formula C35H29Cl2F6N5O7S2 and a molecular weight of 880.67 g/mol. Its IUPAC name is N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide
• PubChem CID: 159773578
• Molecular Formula: C35H29Cl2F6N5O7S2
• Molecular Weight: 880.67 g/mol
• Exact Mass: 879.08
• IUPAC Name: N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(Cl)c1.CS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)c1cccc(Cl)c1
• InChI: InChI=1S/C18H16ClF3N2O4S.C17H13ClF3N3O3S/c1-29(27,28)24(14-4-2-3-13(19)8-14)10-12-6-5-11(7-15(12)20)16(25)9-23-18(26)17(21)22;1-28(25,26)24(13-4-2-3-12(18)8-13)9-11-6-5-10(7-14(11)19)16-22-23-17(27-16)15(20)21/h2-8,17H,9-10H2,1H3,(H,23,26);2-8,15H,9H2,1H3
• InChIKey: NGKZRDFFQBGYCL-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 159.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.67
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide?

The IUPAC name of N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide (CID 159773578) is N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide.

What is the SMILES notation for N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide?

The canonical SMILES for N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc(Cl)c1.CS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)c1cccc(Cl)c1.

What is the InChIKey of N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide?

The InChIKey is NGKZRDFFQBGYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O4S.C17H13ClF3N3O3S/c1-29(27,28)24(14-4-2-3-13(19)8-14)10-12-6-5-11(7-15(12)20)16(25)9-23-18(26)17(21)22;1-28(25,26)24(13-4-2-3-12(18)8-13)9-11-6-5-10(7-14(11)19)16-22-23-17(27-16)15(20)21/h2-8,17H,9-10H2,1H3,(H,23,26);2-8,15H,9H2,1H3.

What are the key properties of N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide?

N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide has a molecular weight of 880.67 g/mol, XLogP of 7.44, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide is sourced from PubChem (CID 159773578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).