N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C16H10F2N4O5S — CID 166184466

About N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 166184466) has the molecular formula C16H10F2N4O5S and a molecular weight of 408.34 g/mol. Its IUPAC name is N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 166184466
• Molecular Formula: C16H10F2N4O5S
• Molecular Weight: 408.34 g/mol
• Exact Mass: 408.03
• IUPAC Name: N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
• SMILES: O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)cc2o1
• InChI: InChI=1S/C16H10F2N4O5S/c17-13(18)15-20-14(21-27-15)8-1-3-9(4-2-8)22-28(24,25)10-5-6-11-12(7-10)26-16(23)19-11/h1-7,13,22H,(H,19,23)
• InChIKey: XDPDNTPBEYTECZ-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 131.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.34
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The IUPAC name of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 166184466) is N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

What is the SMILES notation for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The canonical SMILES for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)cc2o1.

What is the InChIKey of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The InChIKey is XDPDNTPBEYTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O5S/c17-13(18)15-20-14(21-27-15)8-1-3-9(4-2-8)22-28(24,25)10-5-6-11-12(7-10)26-16(23)19-11/h1-7,13,22H,(H,19,23).

What are the key properties of N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 408.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 166184466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).