4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C12H15N3O4S — CID 50747503

IUPAC4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(N)(=O)=O)ccc2OC)n1
InChIInChI=1S/C12H15N3O4S/c1-3-4-11-14-12(19-15-11)9-7-8(20(13,16)17)5-6-10(9)18-2/h5-7H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyZYWPOOSPUOYRDE-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.35
Rot. Bonds5

About 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 50747503) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID50747503
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(N)(=O)=O)ccc2OC)n1
InChIInChI=1S/C12H15N3O4S/c1-3-4-11-14-12(19-15-11)9-7-8(20(13,16)17)5-6-10(9)18-2/h5-7H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyZYWPOOSPUOYRDE-UHFFFAOYSA-N
XLogP1.35
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 50747503) is 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is CCCc1noc(-c2cc(S(N)(=O)=O)ccc2OC)n1.
What is the InChIKey of 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is ZYWPOOSPUOYRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-3-4-11-14-12(19-15-11)9-7-8(20(13,16)17)5-6-10(9)18-2/h5-7H,3-4H2,1-2H3,(H2,13,16,17).
What are the key properties of 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50747503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).