N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide

C13H14ClN3O3S — CID 118097381

IUPACN-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide
SMILESCc1nc(Cl)cc(Oc2ccc(N(C)S(C)(=O)=O)cc2)n1
InChIInChI=1S/C13H14ClN3O3S/c1-9-15-12(14)8-13(16-9)20-11-6-4-10(5-7-11)17(2)21(3,18)19/h4-8H,1-3H3
InChIKeyGXDFZJMJOYBSCR-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.63
Rot. Bonds4

About N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide

N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide (PubChem CID 118097381) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide
PubChem CID118097381
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide
SMILESCc1nc(Cl)cc(Oc2ccc(N(C)S(C)(=O)=O)cc2)n1
InChIInChI=1S/C13H14ClN3O3S/c1-9-15-12(14)8-13(16-9)20-11-6-4-10(5-7-11)17(2)21(3,18)19/h4-8H,1-3H3
InChIKeyGXDFZJMJOYBSCR-UHFFFAOYSA-N
XLogP2.63
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide (CID 118097381) is N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide is Cc1nc(Cl)cc(Oc2ccc(N(C)S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide?
The InChIKey is GXDFZJMJOYBSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-9-15-12(14)8-13(16-9)20-11-6-4-10(5-7-11)17(2)21(3,18)19/h4-8H,1-3H3.
What are the key properties of N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide?
N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118097381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).