N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H14ClF3N4O4S2 — CID 1432821

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1432821) has the molecular formula C18H14ClF3N4O4S2 and a molecular weight of 506.92 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 1432821
• Molecular Formula: C18H14ClF3N4O4S2
• Molecular Weight: 506.92 g/mol
• Exact Mass: 506.01
• IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: CS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1
• InChI: InChI=1S/C18H14ClF3N4O4S2/c1-32(28,29)26-12-5-2-10(3-6-12)16-24-25-17(30-16)31-9-15(27)23-14-8-11(18(20,21)22)4-7-13(14)19/h2-8,26H,9H2,1H3,(H,23,27)
• InChIKey: QHGJKDQEDGIKKA-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.92
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1432821) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1.

What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is QHGJKDQEDGIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O4S2/c1-32(28,29)26-12-5-2-10(3-6-12)16-24-25-17(30-16)31-9-15(27)23-14-8-11(18(20,21)22)4-7-13(14)19/h2-8,26H,9H2,1H3,(H,23,27).

What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 506.92 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1432821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).