4-chloro-2-methylsulfonyl-5-phenylpyrimidine

C11H9ClN2O2S — CID 24903705

IUPAC4-chloro-2-methylsulfonyl-5-phenylpyrimidine
SMILESCS(=O)(=O)c1ncc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H9ClN2O2S/c1-17(15,16)11-13-7-9(10(12)14-11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyXMBWRMCQLMMGHH-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.20
Rot. Bonds2

About 4-chloro-2-methylsulfonyl-5-phenylpyrimidine

4-chloro-2-methylsulfonyl-5-phenylpyrimidine (PubChem CID 24903705) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-2-methylsulfonyl-5-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfonyl-5-phenylpyrimidine
PubChem CID24903705
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name4-chloro-2-methylsulfonyl-5-phenylpyrimidine
SMILESCS(=O)(=O)c1ncc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H9ClN2O2S/c1-17(15,16)11-13-7-9(10(12)14-11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyXMBWRMCQLMMGHH-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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Related Compounds

4-chloro-2-methyl-5-phenylpyrimidine
CID 19917991
4-chloro-5-phenylpyrimidin-2-amine
CID 89417218
2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine
CID 83852624
4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine
CID 86602591
5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide
CID 2989871
4-chloro-5-(4-methylphenyl)pyrimidin-2-amine
CID 117260801
4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine
CID 154358319
6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 135382290
6-methylsulfonyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 131865944
S-(4-chlorophenyl) 4-chloro-2-methylsulfonylpyrimidine-5-carbothioate
CID 73254093
4-(4-chloro-2-methylpyrimidin-5-yl)phenol
CID 117260826
5-methoxy-2-methylsulfonyl-4-phenoxypyrimidine
CID 101004431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfonyl-5-phenylpyrimidine?
The IUPAC name of 4-chloro-2-methylsulfonyl-5-phenylpyrimidine (CID 24903705) is 4-chloro-2-methylsulfonyl-5-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfonyl-5-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfonyl-5-phenylpyrimidine is CS(=O)(=O)c1ncc(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4-chloro-2-methylsulfonyl-5-phenylpyrimidine?
The InChIKey is XMBWRMCQLMMGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-17(15,16)11-13-7-9(10(12)14-11)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 4-chloro-2-methylsulfonyl-5-phenylpyrimidine?
4-chloro-2-methylsulfonyl-5-phenylpyrimidine 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-chloro-2-methylsulfonyl-5-phenylpyrimidine is sourced from PubChem (CID 24903705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).