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

C12H9N3O3S2 — CID 155554095

IUPAC4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C12H9N3O3S2/c13-20(16,17)9-5-3-8(4-6-9)12-14-11(15-18-12)10-2-1-7-19-10/h1-7H,(H2,13,16,17)
InChIKeyBOAGGRYJCMDEQW-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.11
Rot. Bonds3

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

4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 155554095) has the molecular formula C12H9N3O3S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID155554095
Molecular FormulaC12H9N3O3S2
Molecular Weight307.36 g/mol
Exact Mass307.01
IUPAC Name4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C12H9N3O3S2/c13-20(16,17)9-5-3-8(4-6-9)12-14-11(15-18-12)10-2-1-7-19-10/h1-7H,(H2,13,16,17)
InChIKeyBOAGGRYJCMDEQW-UHFFFAOYSA-N
XLogP2.11
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 155554095) is 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is BOAGGRYJCMDEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S2/c13-20(16,17)9-5-3-8(4-6-9)12-14-11(15-18-12)10-2-1-7-19-10/h1-7H,(H2,13,16,17).
What are the key properties of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 307.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 155554095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).