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

C13H15N3O3S — CID 649460

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H15N3O3S/c1-9-4-6-11(7-5-9)20(17,18)16-13-14-10(2)8-12(15-13)19-3/h4-8H,1-3H3,(H,14,15,16)
InChIKeyUIDPICQYOIKMDJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.90
Rot. Bonds4

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

N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 649460) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID649460
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H15N3O3S/c1-9-4-6-11(7-5-9)20(17,18)16-13-14-10(2)8-12(15-13)19-3/h4-8H,1-3H3,(H,14,15,16)
InChIKeyUIDPICQYOIKMDJ-UHFFFAOYSA-N
XLogP1.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-methylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 649460) is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is UIDPICQYOIKMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-4-6-11(7-5-9)20(17,18)16-13-14-10(2)8-12(15-13)19-3/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 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-methylbenzenesulfonamide is sourced from PubChem (CID 649460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).