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

C14H12N4O4S — CID 166606808

IUPAC3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)ccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H12N4O4S/c1-21-12-8-9(23(15,19)20)5-6-10(12)14-17-13(18-22-14)11-4-2-3-7-16-11/h2-8H,1H3,(H2,15,19,20)
InChIKeyKKGWEZCCBSYPGL-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.45
Rot. Bonds4

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

3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 166606808) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID166606808
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)ccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H12N4O4S/c1-21-12-8-9(23(15,19)20)5-6-10(12)14-17-13(18-22-14)11-4-2-3-7-16-11/h2-8H,1H3,(H2,15,19,20)
InChIKeyKKGWEZCCBSYPGL-UHFFFAOYSA-N
XLogP1.45
TPSA121.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385
5-(4-methoxy-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2183720
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
CID 155543295
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330865
4-[(1S,3S)-2,2-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448299
2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide
CID 97206953
[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
CID 99839573
4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747503
5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 1484241
5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 146124457
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428131

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 166606808) is 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is COc1cc(S(N)(=O)=O)ccc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is KKGWEZCCBSYPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c1-21-12-8-9(23(15,19)20)5-6-10(12)14-17-13(18-22-14)11-4-2-3-7-16-11/h2-8H,1H3,(H2,15,19,20).
What are the key properties of 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 332.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 166606808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).