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

C13H11N3O4S2 — CID 155539552

IUPAC4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
SMILESCOc1cccc(-c2noc(-c3csc(S(N)(=O)=O)c3)n2)c1
InChIInChI=1S/C13H11N3O4S2/c1-19-10-4-2-3-8(5-10)12-15-13(20-16-12)9-6-11(21-7-9)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
InChIKeyICEIXYUDRPNZGB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.12
Rot. Bonds4

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

4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide (PubChem CID 155539552) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
PubChem CID155539552
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC Name4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
SMILESCOc1cccc(-c2noc(-c3csc(S(N)(=O)=O)c3)n2)c1
InChIInChI=1S/C13H11N3O4S2/c1-19-10-4-2-3-8(5-10)12-15-13(20-16-12)9-6-11(21-7-9)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
InChIKeyICEIXYUDRPNZGB-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

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Related Compounds

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53126909
3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 99705057
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
CID 155543295
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53035987
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782462
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide (CID 155539552) is 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide is COc1cccc(-c2noc(-c3csc(S(N)(=O)=O)c3)n2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is ICEIXYUDRPNZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-19-10-4-2-3-8(5-10)12-15-13(20-16-12)9-6-11(21-7-9)22(14,17)18/h2-7H,1H3,(H2,14,17,18).
What are the key properties of 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
4-[3-(3-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-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 155539552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).