4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine

C17H13ClN2O3S — CID 1487963

IUPAC4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine
SMILESCS(=O)(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3S/c1-24(21,22)15-11-19-16(12-5-3-2-4-6-12)20-17(15)23-14-9-7-13(18)8-10-14/h2-11H,1H3
InChIKeyVJTHEQZFZWCTPV-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.99
Rot. Bonds4

About 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine

4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine (PubChem CID 1487963) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine
PubChem CID1487963
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine
SMILESCS(=O)(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3S/c1-24(21,22)15-11-19-16(12-5-3-2-4-6-12)20-17(15)23-14-9-7-13(18)8-10-14/h2-11H,1H3
InChIKeyVJTHEQZFZWCTPV-UHFFFAOYSA-N
XLogP3.99
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Benzenesulfonyl)-4-(4-methoxyphenoxy)-2-phenylpyrimidine
CID 3509788
5-(Benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
CID 3767519
4-(4-Methylphenoxy)-5-[(4-methylphenyl)sulfonyl]-2-phenylpyrimidine
CID 3780166
4-(4-Fluorophenoxy)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1487620
4-[(3-Methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl sulfone
CID 1487960
4-(4-Methylphenoxy)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1487964
4-(4-Chloro-2-methylphenoxy)-2-phenyl-5-pyrimidinyl methyl sulfone
CID 1487968
2,4-Bis(4-chlorophenoxy)-5-methyl-pyrimidine
CID 3008445
5-(Benzenesulfonyl)-4-(2,4-difluorophenoxy)-2-phenylpyrimidine
CID 1487973
N2-benzyl-5-((3-chloro-4-methoxyphenyl)sulfonyl)-N2-ethylpyrimidine-2,4-diamine
CID 49662242
4-Methylphenyl 4-phenoxy-2-phenyl-5-pyrimidinyl sulfone
CID 1487619
N~2~-benzyl-5-[(5-chloro-2-methoxyphenyl)sulfonyl]-N~2~-ethylpyrimidine-2,4-diamine
CID 53137110

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine?
The IUPAC name of 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine (CID 1487963) is 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine?
The canonical SMILES for 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine is CS(=O)(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine?
The InChIKey is VJTHEQZFZWCTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c1-24(21,22)15-11-19-16(12-5-3-2-4-6-12)20-17(15)23-14-9-7-13(18)8-10-14/h2-11H,1H3.
What are the key properties of 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine?
4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine has a molecular weight of 360.82 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-5-methylsulfonyl-2-phenylpyrimidine is sourced from PubChem (CID 1487963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).