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

C17H16FN3O3S — CID 17101285

IUPAC4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1-c1noc(C(C)NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3O3S/c1-11-5-3-4-6-15(11)16-19-17(24-20-16)12(2)21-25(22,23)14-9-7-13(18)8-10-14/h3-10,12,21H,1-2H3
InChIKeyYGHXHIJUTDTDNP-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.22
Rot. Bonds5

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

4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 17101285) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID17101285
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1-c1noc(C(C)NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3O3S/c1-11-5-3-4-6-15(11)16-19-17(24-20-16)12(2)21-25(22,23)14-9-7-13(18)8-10-14/h3-10,12,21H,1-2H3
InChIKeyYGHXHIJUTDTDNP-UHFFFAOYSA-N
XLogP3.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (CID 17101285) is 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is Cc1ccccc1-c1noc(C(C)NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is YGHXHIJUTDTDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-11-5-3-4-6-15(11)16-19-17(24-20-16)12(2)21-25(22,23)14-9-7-13(18)8-10-14/h3-10,12,21H,1-2H3.
What are the key properties of 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 361.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 17101285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).