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

C13H11N3O4S2 — CID 155558641

IUPAC4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
SMILESCOc1ccccc1-c1noc(-c2csc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C13H11N3O4S2/c1-19-10-5-3-2-4-9(10)12-15-13(20-16-12)8-6-11(21-7-8)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
InChIKeyLFMWAEICMWTFDY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.12
Rot. Bonds4

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

4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide (PubChem CID 155558641) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
PubChem CID155558641
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
SMILESCOc1ccccc1-c1noc(-c2csc(S(N)(=O)=O)c2)n1
InChIInChI=1S/C13H11N3O4S2/c1-19-10-5-3-2-4-9(10)12-15-13(20-16-12)8-6-11(21-7-8)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
InChIKeyLFMWAEICMWTFDY-UHFFFAOYSA-N
XLogP2.12
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide (CID 155558641) is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide is COc1ccccc1-c1noc(-c2csc(S(N)(=O)=O)c2)n1.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is LFMWAEICMWTFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-19-10-5-3-2-4-9(10)12-15-13(20-16-12)8-6-11(21-7-8)22(14,17)18/h2-7H,1H3,(H2,14,17,18).
What are the key properties of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 337.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 155558641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).