N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide

C14H18N4O2S — CID 62158827

IUPACN-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C14H18N4O2S/c1-10-5-6-13(11(2)7-10)18(4)21(19,20)12-8-16-14(15-3)17-9-12/h5-9H,1-4H3,(H,15,16,17)
InChIKeyLHLPJJALHWKPRP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.96
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide

N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62158827) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62158827
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C14H18N4O2S/c1-10-5-6-13(11(2)7-10)18(4)21(19,20)12-8-16-14(15-3)17-9-12/h5-9H,1-4H3,(H,15,16,17)
InChIKeyLHLPJJALHWKPRP-UHFFFAOYSA-N
XLogP1.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(methylamino)-N-phenylpyrimidine-5-sulfonamide
CID 62148831
(2,4-dimethylphenyl)-methylsulfamic acid
CID 19750978
4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697429
N-(2,4-dimethylphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520515
5-[(2,4-dimethylphenyl)-methylsulfamoyl]-2-fluorobenzoic acid
CID 71890309
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145454
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62150452
3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358817
3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 53278713

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide (CID 62158827) is N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)N(C)c2ccc(C)cc2C)cn1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is LHLPJJALHWKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-5-6-13(11(2)7-10)18(4)21(19,20)12-8-16-14(15-3)17-9-12/h5-9H,1-4H3,(H,15,16,17).
What are the key properties of N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide?
N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62158827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).