4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine

C18H15ClN2O3S — CID 1487968

IUPAC4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine
SMILESCc1cc(Cl)ccc1Oc1nc(-c2ccccc2)ncc1S(C)(=O)=O
InChIInChI=1S/C18H15ClN2O3S/c1-12-10-14(19)8-9-15(12)24-18-16(25(2,22)23)11-20-17(21-18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyOKKRLERKEQYBRB-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.30
Rot. Bonds4

About 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine

4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine (PubChem CID 1487968) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine
PubChem CID1487968
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine
SMILESCc1cc(Cl)ccc1Oc1nc(-c2ccccc2)ncc1S(C)(=O)=O
InChIInChI=1S/C18H15ClN2O3S/c1-12-10-14(19)8-9-15(12)24-18-16(25(2,22)23)11-20-17(21-18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyOKKRLERKEQYBRB-UHFFFAOYSA-N
XLogP4.30
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine
CID 1472566
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-(4-Methylphenoxy)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1487964
5-(Benzenesulfonyl)-4-(2,4-difluorophenoxy)-2-phenylpyrimidine
CID 1487973
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
2-(3-Chlorophenyl)-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 15452291
4-(2,4-Difluorophenoxy)-5-[(4-methylphenyl)sulfonyl]-2-phenylpyrimidine
CID 1488908

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine (CID 1487968) is 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine is Cc1cc(Cl)ccc1Oc1nc(-c2ccccc2)ncc1S(C)(=O)=O.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine?
The InChIKey is OKKRLERKEQYBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-12-10-14(19)8-9-15(12)24-18-16(25(2,22)23)11-20-17(21-18)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine?
4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine has a molecular weight of 374.85 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-5-methylsulfonyl-2-phenylpyrimidine is sourced from PubChem (CID 1487968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).