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

C16H13F2N3O3S — CID 110323465

IUPAC4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccccc2F)no1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2N3O3S/c17-11-5-7-12(8-6-11)25(22,23)19-10-9-15-20-16(21-24-15)13-3-1-2-4-14(13)18/h1-8,19H,9-10H2
InChIKeyKKLUDVFCLIQLMY-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.54
Rot. Bonds6

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

4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 110323465) has the molecular formula C16H13F2N3O3S and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID110323465
Molecular FormulaC16H13F2N3O3S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC Name4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccccc2F)no1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2N3O3S/c17-11-5-7-12(8-6-11)25(22,23)19-10-9-15-20-16(21-24-15)13-3-1-2-4-14(13)18/h1-8,19H,9-10H2
InChIKeyKKLUDVFCLIQLMY-UHFFFAOYSA-N
XLogP2.54
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
4-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323565
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110323487
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
4-bromo-N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4871374
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110324097
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110323688
4-fluoro-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110324188
4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
CID 110415379
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 4975425
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 62716288

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (CID 110323465) is 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1nc(-c2ccccc2F)no1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is KKLUDVFCLIQLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S/c17-11-5-7-12(8-6-11)25(22,23)19-10-9-15-20-16(21-24-15)13-3-1-2-4-14(13)18/h1-8,19H,9-10H2.
What are the key properties of 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 365.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110323465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).