N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide

C14H17N3O2S — CID 54318786

IUPACN-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)c2cc(C)nc(C)n2)c1
InChIInChI=1S/C14H17N3O2S/c1-10-6-5-7-13(8-10)20(18,19)17(4)14-9-11(2)15-12(3)16-14/h5-9H,1-4H3
InChIKeySQCYSCXJWFIELX-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.23
Rot. Bonds3

About N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide

N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide (PubChem CID 54318786) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide
PubChem CID54318786
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)c2cc(C)nc(C)n2)c1
InChIInChI=1S/C14H17N3O2S/c1-10-6-5-7-13(8-10)20(18,19)17(4)14-9-11(2)15-12(3)16-14/h5-9H,1-4H3
InChIKeySQCYSCXJWFIELX-UHFFFAOYSA-N
XLogP2.23
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide
CID 164801074
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
2-[methyl-(3-methylphenyl)sulfonylamino]propanoic acid
CID 62627691
N-chloro-N-(6-cyclopropyl-2-pyridinyl)-3-methylbenzenesulfonamide
CID 142757688
(3-methylphenyl)sulfonylazanide
CID 158627668
3-methylbenzenesulfonamide
CID 69347063
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
sodium 3-methylbenzenesulfonate
CID 23684709
3-(3-methylphenyl)sulfonylphenol
CID 134285490
5-methoxy-N-methyl-N-(3-methylphenyl)pyridine-3-sulfonamide
CID 154833326
N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
CID 39982889

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide (CID 54318786) is N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)c2cc(C)nc(C)n2)c1.
What is the InChIKey of N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is SQCYSCXJWFIELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-6-5-7-13(8-10)20(18,19)17(4)14-9-11(2)15-12(3)16-14/h5-9H,1-4H3.
What are the key properties of N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide?
N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 54318786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).