N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide

C33H30Cl2F5N7O6S2 — CID 158788987

About N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide (PubChem CID 158788987) has the molecular formula C33H30Cl2F5N7O6S2 and a molecular weight of 850.68 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
• PubChem CID: 158788987
• Molecular Formula: C33H30Cl2F5N7O6S2
• Molecular Weight: 850.68 g/mol
• Exact Mass: 849.10
• IUPAC Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccc(F)c(Cl)c1.CCS(=O)(=O)N(Cc1ccc(C(=O)CN)cn1)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C17H13ClF4N4O3S.C16H17ClFN3O3S/c1-2-30(27,28)26(12-5-6-14(19)13(18)7-12)9-11-4-3-10(8-23-11)15-24-25-16(29-15)17(20,21)22;1-2-25(23,24)21(13-5-6-15(18)14(17)7-13)10-12-4-3-11(9-20-12)16(22)8-19/h3-8H,2,9H2,1H3;3-7,9H,2,8,10,19H2,1H3
• InChIKey: ISAPDMXYHWIEGH-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 182.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	850.68
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?

The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide (CID 158788987) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide.

What is the SMILES notation for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?

The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccc(F)c(Cl)c1.CCS(=O)(=O)N(Cc1ccc(C(=O)CN)cn1)c1ccc(F)c(Cl)c1.

What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?

The InChIKey is ISAPDMXYHWIEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N4O3S.C16H17ClFN3O3S/c1-2-30(27,28)26(12-5-6-14(19)13(18)7-12)9-11-4-3-10(8-23-11)15-24-25-16(29-15)17(20,21)22;1-2-25(23,24)21(13-5-6-15(18)14(17)7-13)10-12-4-3-11(9-20-12)16(22)8-19/h3-8H,2,9H2,1H3;3-7,9H,2,8,10,19H2,1H3.

What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide?

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 850.68 g/mol, XLogP of 6.67, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chloro-4-fluorophenyl)ethanesulfonamide;N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 158788987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).