4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

C15H13N3O4S — CID 155523621

IUPAC4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCOc1ccccc1-c1noc(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H13N3O4S/c1-21-13-5-3-2-4-12(13)14-17-15(22-18-14)10-6-8-11(9-7-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20)
InChIKeyDIWPGZDHSWXEGP-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.06
Rot. Bonds4

About 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 155523621) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID155523621
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCOc1ccccc1-c1noc(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H13N3O4S/c1-21-13-5-3-2-4-12(13)14-17-15(22-18-14)10-6-8-11(9-7-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20)
InChIKeyDIWPGZDHSWXEGP-UHFFFAOYSA-N
XLogP2.06
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 155523621) is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is COc1ccccc1-c1noc(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is DIWPGZDHSWXEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-21-13-5-3-2-4-12(13)14-17-15(22-18-14)10-6-8-11(9-7-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20).
What are the key properties of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 331.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 155523621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).