2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C11H14N4O3S — CID 103171838

IUPAC2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2c(C)ccc(C)c2N)o1
InChIInChI=1S/C11H14N4O3S/c1-6-4-5-7(2)10(9(6)12)19(16,17)15-11-14-13-8(3)18-11/h4-5H,12H2,1-3H3,(H,14,15)
InChIKeyJKDIUQAYXDSLRO-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 103171838) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID103171838
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2c(C)ccc(C)c2N)o1
InChIInChI=1S/C11H14N4O3S/c1-6-4-5-7(2)10(9(6)12)19(16,17)15-11-14-13-8(3)18-11/h4-5H,12H2,1-3H3,(H,14,15)
InChIKeyJKDIUQAYXDSLRO-UHFFFAOYSA-N
XLogP1.38
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide 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 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 103171838) is 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2c(C)ccc(C)c2N)o1.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is JKDIUQAYXDSLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-6-4-5-7(2)10(9(6)12)19(16,17)15-11-14-13-8(3)18-11/h4-5H,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 103171838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).