2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C10H11N3O2S2 — CID 3326894

IUPAC2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccccc2C)s1
InChIInChI=1S/C10H11N3O2S2/c1-7-5-3-4-6-9(7)17(14,15)13-10-12-11-8(2)16-10/h3-6H,1-2H3,(H,12,13)
InChIKeyOKLBYDCIQOVEIE-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 3326894) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID3326894
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccccc2C)s1
InChIInChI=1S/C10H11N3O2S2/c1-7-5-3-4-6-9(7)17(14,15)13-10-12-11-8(2)16-10/h3-6H,1-2H3,(H,12,13)
InChIKeyOKLBYDCIQOVEIE-UHFFFAOYSA-N
XLogP1.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(5-methyl-1,3,4-thiadiazol-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-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 3326894) is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccccc2C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is OKLBYDCIQOVEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-5-3-4-6-9(7)17(14,15)13-10-12-11-8(2)16-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3326894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).