2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide

C17H19ClFN5O4S — CID 138520527

About 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide

2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide (PubChem CID 138520527) has the molecular formula C17H19ClFN5O4S and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide
• PubChem CID: 138520527
• Molecular Formula: C17H19ClFN5O4S
• Molecular Weight: 443.89 g/mol
• Exact Mass: 443.08
• IUPAC Name: 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide
• SMILES: Cc1ccc(F)c(C(C)C(NS(=O)(=O)c2cn(C)c(Cl)n2)c2n[nH]c(=O)o2)c1C
• InChI: InChI=1S/C17H19ClFN5O4S/c1-8-5-6-11(19)13(9(8)2)10(3)14(15-21-22-17(25)28-15)23-29(26,27)12-7-24(4)16(18)20-12/h5-7,10,14,23H,1-4H3,(H,22,25)
• InChIKey: HCAJMTMFDGWRHD-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 122.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.89
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide?

The IUPAC name of 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide (CID 138520527) is 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide.

What is the SMILES notation for 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide?

The canonical SMILES for 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide is Cc1ccc(F)c(C(C)C(NS(=O)(=O)c2cn(C)c(Cl)n2)c2n[nH]c(=O)o2)c1C.

What is the InChIKey of 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide?

The InChIKey is HCAJMTMFDGWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O4S/c1-8-5-6-11(19)13(9(8)2)10(3)14(15-21-22-17(25)28-15)23-29(26,27)12-7-24(4)16(18)20-12/h5-7,10,14,23H,1-4H3,(H,22,25).

What are the key properties of 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide?

2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 443.89 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 138520527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).