N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide

C16H21N3O3S — CID 694966

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O3S/c1-5-10-19(16-17-13(3)11-15(18-16)22-4)23(20,21)14-8-6-12(2)7-9-14/h6-9,11H,5,10H2,1-4H3
InChIKeyXKMWQNGNOOMEFO-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.71
Rot. Bonds6

About N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide (PubChem CID 694966) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide
PubChem CID694966
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O3S/c1-5-10-19(16-17-13(3)11-15(18-16)22-4)23(20,21)14-8-6-12(2)7-9-14/h6-9,11H,5,10H2,1-4H3
InChIKeyXKMWQNGNOOMEFO-UHFFFAOYSA-N
XLogP2.71
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide (CID 694966) is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide is CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is XKMWQNGNOOMEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-5-10-19(16-17-13(3)11-15(18-16)22-4)23(20,21)14-8-6-12(2)7-9-14/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 694966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).