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

C15H13N3O4S — CID 155512982

IUPAC4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCOc1cccc(-c2noc(-c3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C15H13N3O4S/c1-21-12-4-2-3-11(9-12)14-17-15(22-18-14)10-5-7-13(8-6-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20)
InChIKeyDVTWPHZXMLDERS-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.06
Rot. Bonds4

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

4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 155512982) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID155512982
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCOc1cccc(-c2noc(-c3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C15H13N3O4S/c1-21-12-4-2-3-11(9-12)14-17-15(22-18-14)10-5-7-13(8-6-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20)
InChIKeyDVTWPHZXMLDERS-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-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 155512982) is 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is COc1cccc(-c2noc(-c3ccc(S(N)(=O)=O)cc3)n2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is DVTWPHZXMLDERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-21-12-4-2-3-11(9-12)14-17-15(22-18-14)10-5-7-13(8-6-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20).
What are the key properties of 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
4-[3-(3-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-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 155512982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).