N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide

C11H13N3O3S — CID 64585706

IUPACN-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C11H13N3O3S/c1-3-18(15,16)14-10-5-4-9(6-8(10)2)11-13-12-7-17-11/h4-7,14H,3H2,1-2H3
InChIKeyWAPODYATRUMAIU-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.81
Rot. Bonds4

About N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide

N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide (PubChem CID 64585706) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
PubChem CID64585706
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C11H13N3O3S/c1-3-18(15,16)14-10-5-4-9(6-8(10)2)11-13-12-7-17-11/h4-7,14H,3H2,1-2H3
InChIKeyWAPODYATRUMAIU-UHFFFAOYSA-N
XLogP1.81
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide 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 N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide (CID 64585706) is N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2nnco2)cc1C.
What is the InChIKey of N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is WAPODYATRUMAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-3-18(15,16)14-10-5-4-9(6-8(10)2)11-13-12-7-17-11/h4-7,14H,3H2,1-2H3.
What are the key properties of N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide?
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 64585706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).