N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide

C20H19ClF3N5O3S — CID 175811436

About N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide

N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide (PubChem CID 175811436) has the molecular formula C20H19ClF3N5O3S and a molecular weight of 501.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide
• PubChem CID: 175811436
• Molecular Formula: C20H19ClF3N5O3S
• Molecular Weight: 501.92 g/mol
• Exact Mass: 501.08
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide
• SMILES: O=S(=O)(C1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C20H19ClF3N5O3S/c21-16-9-14(3-4-17(16)22)29(33(30,31)15-5-7-25-8-6-15)11-13-2-1-12(10-26-13)19-27-28-20(32-19)18(23)24/h1-4,9-10,15,18,25H,5-8,11H2
• InChIKey: YNQPSRJWFGTZGX-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.92
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide (CID 175811436) is N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide is O=S(=O)(C1CCNCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)c(Cl)c1.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide?

The InChIKey is YNQPSRJWFGTZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O3S/c21-16-9-14(3-4-17(16)22)29(33(30,31)15-5-7-25-8-6-15)11-13-2-1-12(10-26-13)19-27-28-20(32-19)18(23)24/h1-4,9-10,15,18,25H,5-8,11H2.

What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide?

N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide has a molecular weight of 501.92 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide is sourced from PubChem (CID 175811436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).