3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide

C24H15Cl2N3O3S — CID 58496732

IUPAC3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cc(-c3nc(-c4ccccc4)no3)ccc2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H15Cl2N3O3S/c25-19-12-20(26)14-22(13-19)33(30,31)29-21-9-8-16-10-18(7-6-17(16)11-21)24-27-23(28-32-24)15-4-2-1-3-5-15/h1-14,29H
InChIKeyIFFUTWWDUJCFRW-UHFFFAOYSA-N
MW496.38 g/mol
LogP6.66
Rot. Bonds5

About 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide

3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide (PubChem CID 58496732) has the molecular formula C24H15Cl2N3O3S and a molecular weight of 496.38 g/mol. Its IUPAC name is 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide
PubChem CID58496732
Molecular FormulaC24H15Cl2N3O3S
Molecular Weight496.38 g/mol
Exact Mass495.02
IUPAC Name3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cc(-c3nc(-c4ccccc4)no3)ccc2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H15Cl2N3O3S/c25-19-12-20(26)14-22(13-19)33(30,31)29-21-9-8-16-10-18(7-6-17(16)11-21)24-27-23(28-32-24)15-4-2-1-3-5-15/h1-14,29H
InChIKeyIFFUTWWDUJCFRW-UHFFFAOYSA-N
XLogP6.66
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.38
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide (CID 58496732) is 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2cc(-c3nc(-c4ccccc4)no3)ccc2c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide?
The InChIKey is IFFUTWWDUJCFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O3S/c25-19-12-20(26)14-22(13-19)33(30,31)29-21-9-8-16-10-18(7-6-17(16)11-21)24-27-23(28-32-24)15-4-2-1-3-5-15/h1-14,29H.
What are the key properties of 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide?
3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide has a molecular weight of 496.38 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[6-(3-phenyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide is sourced from PubChem (CID 58496732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).