N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide

C13H15N3O3S — CID 71795146

IUPACN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(=O)n(CCNS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C13H15N3O3S/c1-11-9-13(17)16(10-14-11)8-7-15-20(18,19)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8H2,1H3
InChIKeyMCLKLLGFNDOLMU-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.53
Rot. Bonds5

About N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 71795146) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide
PubChem CID71795146
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(=O)n(CCNS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C13H15N3O3S/c1-11-9-13(17)16(10-14-11)8-7-15-20(18,19)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8H2,1H3
InChIKeyMCLKLLGFNDOLMU-UHFFFAOYSA-N
XLogP0.53
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]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-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide (CID 71795146) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide is Cc1cc(=O)n(CCNS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is MCLKLLGFNDOLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-11-9-13(17)16(10-14-11)8-7-15-20(18,19)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8H2,1H3.
What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide?
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71795146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).