4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide

C9H11N3O3S2 — CID 86796055

IUPAC4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nonc2C)sc1C
InChIInChI=1S/C9H11N3O3S2/c1-5-4-8(16-7(5)3)17(13,14)12-9-6(2)10-15-11-9/h4H,1-3H3,(H,11,12)
InChIKeyGTKITZOPOUBEAR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.86
Rot. Bonds3

About 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide

4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide (PubChem CID 86796055) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide
PubChem CID86796055
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nonc2C)sc1C
InChIInChI=1S/C9H11N3O3S2/c1-5-4-8(16-7(5)3)17(13,14)12-9-6(2)10-15-11-9/h4H,1-3H3,(H,11,12)
InChIKeyGTKITZOPOUBEAR-UHFFFAOYSA-N
XLogP1.86
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide (CID 86796055) is 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2nonc2C)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is GTKITZOPOUBEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c1-5-4-8(16-7(5)3)17(13,14)12-9-6(2)10-15-11-9/h4H,1-3H3,(H,11,12).
What are the key properties of 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide?
4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 273.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 86796055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).