4-(3-chloro-4-methylsulfonylphenyl)pyrimidine

C11H9ClN2O2S — CID 71282748

IUPAC4-(3-chloro-4-methylsulfonylphenyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2ccncn2)cc1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-17(15,16)11-3-2-8(6-9(11)12)10-4-5-13-7-14-10/h2-7H,1H3
InChIKeyKFKZAKBLPVROTB-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.20
Rot. Bonds2

About 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine

4-(3-chloro-4-methylsulfonylphenyl)pyrimidine (PubChem CID 71282748) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-chloro-4-methylsulfonylphenyl)pyrimidine
PubChem CID71282748
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name4-(3-chloro-4-methylsulfonylphenyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2ccncn2)cc1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-17(15,16)11-3-2-8(6-9(11)12)10-4-5-13-7-14-10/h2-7H,1H3
InChIKeyKFKZAKBLPVROTB-UHFFFAOYSA-N
XLogP2.20
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine?
The IUPAC name of 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine (CID 71282748) is 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine?
The canonical SMILES for 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine is CS(=O)(=O)c1ccc(-c2ccncn2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine?
The InChIKey is KFKZAKBLPVROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-17(15,16)11-3-2-8(6-9(11)12)10-4-5-13-7-14-10/h2-7H,1H3.
What are the key properties of 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine?
4-(3-chloro-4-methylsulfonylphenyl)pyrimidine has a molecular weight of 268.73 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylsulfonylphenyl)pyrimidine is sourced from PubChem (CID 71282748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).