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

C16H16ClFN6O5S — CID 58941829

IUPACN-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide
SMILESO=c1onc(-c2nonc2CNS(=O)(=O)C2CCNCC2)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN6O5S/c17-11-7-9(1-2-12(11)18)24-15(23-28-16(24)25)14-13(21-29-22-14)8-20-30(26,27)10-3-5-19-6-4-10/h1-2,7,10,19-20H,3-6,8H2
InChIKeyPWAIOLOVRRWUQA-UHFFFAOYSA-N
MW458.86 g/mol
LogP0.84
Rot. Bonds6

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

N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide (PubChem CID 58941829) has the molecular formula C16H16ClFN6O5S and a molecular weight of 458.86 g/mol. Its IUPAC name is N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide
PubChem CID58941829
Molecular FormulaC16H16ClFN6O5S
Molecular Weight458.86 g/mol
Exact Mass458.06
IUPAC NameN-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide
SMILESO=c1onc(-c2nonc2CNS(=O)(=O)C2CCNCC2)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN6O5S/c17-11-7-9(1-2-12(11)18)24-15(23-28-16(24)25)14-13(21-29-22-14)8-20-30(26,27)10-3-5-19-6-4-10/h1-2,7,10,19-20H,3-6,8H2
InChIKeyPWAIOLOVRRWUQA-UHFFFAOYSA-N
XLogP0.84
TPSA145.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.86
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide?
The IUPAC name of N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide (CID 58941829) is N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide.
What is the SMILES notation for N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide?
The canonical SMILES for N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide is O=c1onc(-c2nonc2CNS(=O)(=O)C2CCNCC2)n1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide?
The InChIKey is PWAIOLOVRRWUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN6O5S/c17-11-7-9(1-2-12(11)18)24-15(23-28-16(24)25)14-13(21-29-22-14)8-20-30(26,27)10-3-5-19-6-4-10/h1-2,7,10,19-20H,3-6,8H2.
What are the key properties of N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide?
N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide has a molecular weight of 458.86 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]methyl]piperidine-4-sulfonamide is sourced from PubChem (CID 58941829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).