4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine

C23H16F2N2O3S — CID 1488908

IUPAC4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine
SMILESCc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C23H16F2N2O3S/c1-15-7-10-18(11-8-15)31(28,29)21-14-26-22(16-5-3-2-4-6-16)27-23(21)30-20-12-9-17(24)13-19(20)25/h2-14H,1H3
InChIKeyHGLMYAHEVPCNAR-UHFFFAOYSA-N
MW438.46 g/mol
LogP5.36
Rot. Bonds5

About 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine

4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine (PubChem CID 1488908) has the molecular formula C23H16F2N2O3S and a molecular weight of 438.46 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine
PubChem CID1488908
Molecular FormulaC23H16F2N2O3S
Molecular Weight438.46 g/mol
Exact Mass438.08
IUPAC Name4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine
SMILESCc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C23H16F2N2O3S/c1-15-7-10-18(11-8-15)31(28,29)21-14-26-22(16-5-3-2-4-6-16)27-23(21)30-20-12-9-17(24)13-19(20)25/h2-14H,1H3
InChIKeyHGLMYAHEVPCNAR-UHFFFAOYSA-N
XLogP5.36
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Benzenesulfonyl)-4-methoxy-2-phenylpyrimidine
CID 1488907
4-Phenoxy-2-phenyl-6-[(phenylsulfonyl)methyl]pyrimidine
CID 1471763
4-(4-Chlorophenoxy)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1487963
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
4-(4-Fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-2-phenoxypyrimidine
CID 45273799
N-[(2,4-dimethoxypyrimidin-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162667090

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine?
The IUPAC name of 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine (CID 1488908) is 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine is Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine?
The InChIKey is HGLMYAHEVPCNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O3S/c1-15-7-10-18(11-8-15)31(28,29)21-14-26-22(16-5-3-2-4-6-16)27-23(21)30-20-12-9-17(24)13-19(20)25/h2-14H,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine?
4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine has a molecular weight of 438.46 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-5-(4-methylphenyl)sulfonyl-2-phenylpyrimidine is sourced from PubChem (CID 1488908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).