2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide

C13H11N3O2S2 — CID 9267126

IUPAC2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ncnc2sccc12
InChIInChI=1S/C13H11N3O2S2/c1-9-4-2-3-5-11(9)20(17,18)16-12-10-6-7-19-13(10)15-8-14-12/h2-8H,1H3,(H,14,15,16)
InChIKeyGBTKTARGONSWBV-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.80
Rot. Bonds3

About 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide

2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide (PubChem CID 9267126) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide
PubChem CID9267126
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ncnc2sccc12
InChIInChI=1S/C13H11N3O2S2/c1-9-4-2-3-5-11(9)20(17,18)16-12-10-6-7-19-13(10)15-8-14-12/h2-8H,1H3,(H,14,15,16)
InChIKeyGBTKTARGONSWBV-UHFFFAOYSA-N
XLogP2.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide 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-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide (CID 9267126) is 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ncnc2sccc12.
What is the InChIKey of 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is GBTKTARGONSWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-9-4-2-3-5-11(9)20(17,18)16-12-10-6-7-19-13(10)15-8-14-12/h2-8H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide?
2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 9267126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).