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

C20H14FN3O3S — CID 20974321

IUPAC4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O3S/c21-16-9-11-18(12-10-16)28(25,26)24-17-8-4-7-15(13-17)20-23-22-19(27-20)14-5-2-1-3-6-14/h1-13,24H
InChIKeyIPQPCXWNICJWJO-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.34
Rot. Bonds5

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

4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 20974321) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID20974321
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O3S/c21-16-9-11-18(12-10-16)28(25,26)24-17-8-4-7-15(13-17)20-23-22-19(27-20)14-5-2-1-3-6-14/h1-13,24H
InChIKeyIPQPCXWNICJWJO-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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Related Compounds

N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 1037259
N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 1279674
N-{4-[5-(4-Methyl-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-benzenesulfonamide
CID 1432093
4-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 155547969
3-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 155565232
3-[5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 162666980
N1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-chlorobenzene-1-sulfonamide
CID 2739466
N1-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2,4-difluorobenzene-1-sulfonamide
CID 2740544
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 57394996
N-(4-methoxyphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 4688990
4-Fluoro-3-[5-(4-methylbenzyl)-1,3,4-oxadiazol-2-yl]aniline
CID 47001465
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 2799976

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 20974321) is 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is IPQPCXWNICJWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-16-9-11-18(12-10-16)28(25,26)24-17-8-4-7-15(13-17)20-23-22-19(27-20)14-5-2-1-3-6-14/h1-13,24H.
What are the key properties of 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
4-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 4-fluoro-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 20974321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).