5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide

C13H12ClN3O3S — CID 2989871

IUPAC5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1nc(S(C)(=O)=O)ncc1Cl)c1ccccc1
InChIInChI=1S/C13H12ClN3O3S/c1-17(9-6-4-3-5-7-9)12(18)11-10(14)8-15-13(16-11)21(2,19)20/h3-8H,1-2H3
InChIKeyHEIFTNPSFCJVGE-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.81
Rot. Bonds3

About 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide

5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 2989871) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide
PubChem CID2989871
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1nc(S(C)(=O)=O)ncc1Cl)c1ccccc1
InChIInChI=1S/C13H12ClN3O3S/c1-17(9-6-4-3-5-7-9)12(18)11-10(14)8-15-13(16-11)21(2,19)20/h3-8H,1-2H3
InChIKeyHEIFTNPSFCJVGE-UHFFFAOYSA-N
XLogP1.81
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3,4-dimethylphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
CID 16435313
5-chloro-N-(2,6-dimethylphenyl)-2-(methylthio)pyrimidine-4-carboxamide
CID 16435314
5-chloro-N-(2-methylphenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
CID 16435679
5-chloro-2-(methylsulfanyl)-N-(pyridin-3-yl)pyrimidine-4-carboxamide
CID 2980431
5-chloro-2-(methylsulfonyl)-N-2-naphthyl-4-pyrimidinecarboxamide
CID 991251
5-chloro-N-{4-[ethyl(phenyl)sulfamoyl]phenyl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
CID 1256342
5-chloro-N-(3-methylphenyl)-2-(methylthio)-4-pyrimidinecarboxamide
CID 1258492
5-chloro-2-ethylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 1259415
5-chloro-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(methylsulfanyl)pyrimidine-4-carboxamide
CID 2237376
5-chloro-2-methylsulfonyl-N-(4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 2335498
5-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-2-(ethylthio)-4-pyrimidinecarboxamide
CID 2984398
5-chloro-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 2985226

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide (CID 2989871) is 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide is CN(C(=O)c1nc(S(C)(=O)=O)ncc1Cl)c1ccccc1.
What is the InChIKey of 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is HEIFTNPSFCJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-17(9-6-4-3-5-7-9)12(18)11-10(14)8-15-13(16-11)21(2,19)20/h3-8H,1-2H3.
What are the key properties of 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide?
5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 325.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 2989871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).