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

C15H19N3O3S — CID 3245110

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19N3O3S/c1-4-10-18(15-16-12(2)11-14(17-15)21-3)22(19,20)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3
InChIKeyUACKYABEMYKEJV-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.40
Rot. Bonds6

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

N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide (PubChem CID 3245110) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
PubChem CID3245110
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19N3O3S/c1-4-10-18(15-16-12(2)11-14(17-15)21-3)22(19,20)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3
InChIKeyUACKYABEMYKEJV-UHFFFAOYSA-N
XLogP2.40
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.40
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)-N-propylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide (CID 3245110) is N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide is CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide?
The InChIKey is UACKYABEMYKEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-10-18(15-16-12(2)11-14(17-15)21-3)22(19,20)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3.
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.40, 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)-N-propylbenzenesulfonamide is sourced from PubChem (CID 3245110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).