2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine

C11H9ClN2O3S — CID 53486073

IUPAC2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
SMILESCS(=O)(=O)c1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2O3S/c1-18(15,16)9-4-2-8(3-5-9)17-10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyLTEDTWGUJZWSKB-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine

2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine (PubChem CID 53486073) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
PubChem CID53486073
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
SMILESCS(=O)(=O)c1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2O3S/c1-18(15,16)9-4-2-8(3-5-9)17-10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyLTEDTWGUJZWSKB-UHFFFAOYSA-N
XLogP2.33
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine (CID 53486073) is 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine is CS(=O)(=O)c1ccc(Oc2ccnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine?
The InChIKey is LTEDTWGUJZWSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c1-18(15,16)9-4-2-8(3-5-9)17-10-6-7-13-11(12)14-10/h2-7H,1H3.
What are the key properties of 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine?
2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine has a molecular weight of 284.72 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine is sourced from PubChem (CID 53486073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).