N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C11H11N3O2S — CID 2218567

IUPACN-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H11N3O2S/c1-9-7-8-12-11(13-9)14-17(15,16)10-5-3-2-4-6-10/h2-8H,1H3,(H,12,13,14)
InChIKeyJHBCSXMWPZTKTF-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.59
Rot. Bonds3

About N-(4-methylpyrimidin-2-yl)benzenesulfonamide

N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 2218567) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID2218567
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H11N3O2S/c1-9-7-8-12-11(13-9)14-17(15,16)10-5-3-2-4-6-10/h2-8H,1H3,(H,12,13,14)
InChIKeyJHBCSXMWPZTKTF-UHFFFAOYSA-N
XLogP1.59
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylpyrimidin-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 N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 2218567) is N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is JHBCSXMWPZTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-9-7-8-12-11(13-9)14-17(15,16)10-5-3-2-4-6-10/h2-8H,1H3,(H,12,13,14).
What are the key properties of N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 249.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 2218567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).