4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide

C12H13N3O3S — CID 135513566

IUPAC4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C12H13N3O3S/c1-8-3-5-10(6-4-8)19(17,18)15-12-13-9(2)7-11(16)14-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyBZVFYKVEXDHJOQ-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.19
Rot. Bonds3

About 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide

4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide (PubChem CID 135513566) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
PubChem CID135513566
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C12H13N3O3S/c1-8-3-5-10(6-4-8)19(17,18)15-12-13-9(2)7-11(16)14-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyBZVFYKVEXDHJOQ-UHFFFAOYSA-N
XLogP1.19
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-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 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide (CID 135513566) is 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is BZVFYKVEXDHJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-3-5-10(6-4-8)19(17,18)15-12-13-9(2)7-11(16)14-12/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 135513566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).