N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide

C15H19N3O3S — CID 742827

IUPACN-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19N3O3S/c1-5-18(15-16-12(3)10-14(17-15)21-4)22(19,20)13-8-6-11(2)7-9-13/h6-10H,5H2,1-4H3
InChIKeyVXIQVLHRYPFQFO-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide

N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 742827) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID742827
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19N3O3S/c1-5-18(15-16-12(3)10-14(17-15)21-4)22(19,20)13-8-6-11(2)7-9-13/h6-10H,5H2,1-4H3
InChIKeyVXIQVLHRYPFQFO-UHFFFAOYSA-N
XLogP2.32
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 742827) is N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is VXIQVLHRYPFQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-5-18(15-16-12(3)10-14(17-15)21-4)22(19,20)13-8-6-11(2)7-9-13/h6-10H,5H2,1-4H3.
What are the key properties of N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 742827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).