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

C13H14ClN3O3S — CID 658027

IUPACN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl
InChIInChI=1S/C13H14ClN3O3S/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)
InChIKeyYTABULWPBQYVTR-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.56
Rot. Bonds4

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

N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 658027) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID658027
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl
InChIInChI=1S/C13H14ClN3O3S/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)
InChIKeyYTABULWPBQYVTR-UHFFFAOYSA-N
XLogP2.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 658027) is N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl.
What is the InChIKey of N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is YTABULWPBQYVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/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-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 658027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).