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

C22H18FN3O3S — CID 57398513

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H18FN3O3S/c23-19-13-11-17(12-14-19)20(26-30(27,28)15-16-7-3-1-4-8-16)22-25-24-21(29-22)18-9-5-2-6-10-18/h1-14,20,26H,15H2
InChIKeyCVQPIJQGJBNBPN-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.08
Rot. Bonds7

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

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 57398513) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID57398513
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H18FN3O3S/c23-19-13-11-17(12-14-19)20(26-30(27,28)15-16-7-3-1-4-8-16)22-25-24-21(29-22)18-9-5-2-6-10-18/h1-14,20,26H,15H2
InChIKeyCVQPIJQGJBNBPN-UHFFFAOYSA-N
XLogP4.08
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide (CID 57398513) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is CVQPIJQGJBNBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c23-19-13-11-17(12-14-19)20(26-30(27,28)15-16-7-3-1-4-8-16)22-25-24-21(29-22)18-9-5-2-6-10-18/h1-14,20,26H,15H2.
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide?
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 423.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 57398513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).