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

C15H11ClFN3O3S — CID 134159517

IUPAC4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFN3O3S/c16-11-3-7-13(8-4-11)24(21,22)18-9-14-19-15(20-23-14)10-1-5-12(17)6-2-10/h1-8,18H,9H2
InChIKeyWKUOEPTZRPPFRV-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.01
Rot. Bonds5

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

4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 134159517) has the molecular formula C15H11ClFN3O3S and a molecular weight of 367.79 g/mol. Its IUPAC name is 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID134159517
Molecular FormulaC15H11ClFN3O3S
Molecular Weight367.79 g/mol
Exact Mass367.02
IUPAC Name4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFN3O3S/c16-11-3-7-13(8-4-11)24(21,22)18-9-14-19-15(20-23-14)10-1-5-12(17)6-2-10/h1-8,18H,9H2
InChIKeyWKUOEPTZRPPFRV-UHFFFAOYSA-N
XLogP3.01
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 134159517) is 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is WKUOEPTZRPPFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3S/c16-11-3-7-13(8-4-11)24(21,22)18-9-14-19-15(20-23-14)10-1-5-12(17)6-2-10/h1-8,18H,9H2.
What are the key properties of 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 367.79 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134159517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).