N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide

C17H14ClFN4O4S2 — CID 53127467

About N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide

N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 53127467) has the molecular formula C17H14ClFN4O4S2 and a molecular weight of 456.91 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
• PubChem CID: 53127467
• Molecular Formula: C17H14ClFN4O4S2
• Molecular Weight: 456.91 g/mol
• Exact Mass: 456.01
• IUPAC Name: N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
• SMILES: O=C(c1nnc(-c2csc(S(=O)(=O)Nc3ccc(F)cc3Cl)c2)o1)N1CCCC1
• InChI: InChI=1S/C17H14ClFN4O4S2/c18-12-8-11(19)3-4-13(12)22-29(25,26)14-7-10(9-28-14)15-20-21-16(27-15)17(24)23-5-1-2-6-23/h3-4,7-9,22H,1-2,5-6H2
• InChIKey: DBRBHBFBNHHQFA-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.91
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?

The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (CID 53127467) is N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is O=C(c1nnc(-c2csc(S(=O)(=O)Nc3ccc(F)cc3Cl)c2)o1)N1CCCC1.

What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?

The InChIKey is DBRBHBFBNHHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O4S2/c18-12-8-11(19)3-4-13(12)22-29(25,26)14-7-10(9-28-14)15-20-21-16(27-15)17(24)23-5-1-2-6-23/h3-4,7-9,22H,1-2,5-6H2.

What are the key properties of N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?

N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 456.91 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53127467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).