N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide

C13H14BrN3O3S — CID 6737672

IUPACN-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Br
InChIInChI=1S/C13H14BrN3O3S/c1-8-4-6-10(7-5-8)21(18,19)17-13-15-9(2)11(14)12(16-13)20-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyDAQGVGOSSSDZKQ-UHFFFAOYSA-N
MW372.24 g/mol
LogP2.67
Rot. Bonds4

About N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide

N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 6737672) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID6737672
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC NameN-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Br
InChIInChI=1S/C13H14BrN3O3S/c1-8-4-6-10(7-5-8)21(18,19)17-13-15-9(2)11(14)12(16-13)20-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyDAQGVGOSSSDZKQ-UHFFFAOYSA-N
XLogP2.67
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(prop-2-en-1-yl)benzenesulfonamide
CID 1118002
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 658027
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 1114632
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 649460
Methyl 2-[benzenesulfonyl-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)amino]acetate
CID 3128119
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-4-methyl-benzenesulfonamide
CID 767952
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 1118003
N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778472
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 658146

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 6737672) is N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Br.
What is the InChIKey of N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is DAQGVGOSSSDZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c1-8-4-6-10(7-5-8)21(18,19)17-13-15-9(2)11(14)12(16-13)20-3/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 372.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 6737672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).