2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide

C20H14FN3O3S — CID 20971520

IUPAC2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1F
InChIInChI=1S/C20H14FN3O3S/c21-17-11-4-5-12-18(17)28(25,26)24-16-10-6-9-15(13-16)20-23-22-19(27-20)14-7-2-1-3-8-14/h1-13,24H
InChIKeyHPPQDJFQIKSKBN-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.34
Rot. Bonds5

About 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide

2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 20971520) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID20971520
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1F
InChIInChI=1S/C20H14FN3O3S/c21-17-11-4-5-12-18(17)28(25,26)24-16-10-6-9-15(13-16)20-23-22-19(27-20)14-7-2-1-3-8-14/h1-13,24H
InChIKeyHPPQDJFQIKSKBN-UHFFFAOYSA-N
XLogP4.34
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 20971520) is 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is HPPQDJFQIKSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-17-11-4-5-12-18(17)28(25,26)24-16-10-6-9-15(13-16)20-23-22-19(27-20)14-7-2-1-3-8-14/h1-13,24H.
What are the key properties of 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 395.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 20971520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).