4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide

C17H15ClFN3O3S2 — CID 71590210

IUPAC4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(F)cc2)o1
InChIInChI=1S/C17H15ClFN3O3S2/c1-11(22-27(23,24)15-8-4-13(18)5-9-15)16-20-21-17(25-16)26-10-12-2-6-14(19)7-3-12/h2-9,11,22H,10H2,1H3
InChIKeyUXGFPFXJORPRNE-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.19
Rot. Bonds7

About 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide

4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 71590210) has the molecular formula C17H15ClFN3O3S2 and a molecular weight of 427.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID71590210
Molecular FormulaC17H15ClFN3O3S2
Molecular Weight427.91 g/mol
Exact Mass427.02
IUPAC Name4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(F)cc2)o1
InChIInChI=1S/C17H15ClFN3O3S2/c1-11(22-27(23,24)15-8-4-13(18)5-9-15)16-20-21-17(25-16)26-10-12-2-6-14(19)7-3-12/h2-9,11,22H,10H2,1H3
InChIKeyUXGFPFXJORPRNE-UHFFFAOYSA-N
XLogP4.19
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (CID 71590210) is 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(F)cc2)o1.
What is the InChIKey of 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is UXGFPFXJORPRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3S2/c1-11(22-27(23,24)15-8-4-13(18)5-9-15)16-20-21-17(25-16)26-10-12-2-6-14(19)7-3-12/h2-9,11,22H,10H2,1H3.
What are the key properties of 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 427.91 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 71590210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).