4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol

C17H13FN2O3S — CID 4984153

IUPAC4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol
SMILESCS(=O)(=O)c1cnc(-c2ccc(O)cc2)nc1-c1cccc(F)c1
InChIInChI=1S/C17H13FN2O3S/c1-24(22,23)15-10-19-17(11-5-7-14(21)8-6-11)20-16(15)12-3-2-4-13(18)9-12/h2-10,21H,1H3
InChIKeyKTOWAODWXGEZIR-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.06
Rot. Bonds3

About 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol

4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol (PubChem CID 4984153) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol
PubChem CID4984153
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol
SMILESCS(=O)(=O)c1cnc(-c2ccc(O)cc2)nc1-c1cccc(F)c1
InChIInChI=1S/C17H13FN2O3S/c1-24(22,23)15-10-19-17(11-5-7-14(21)8-6-11)20-16(15)12-3-2-4-13(18)9-12/h2-10,21H,1H3
InChIKeyKTOWAODWXGEZIR-UHFFFAOYSA-N
XLogP3.06
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenol
CID 4984154
5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3314010
5-(3-fluorophenyl)-2-methylsulfonyl-1,3-oxazole
CID 141303164
2-tert-butyl-4-(3-fluorophenyl)pyrimidine-5-carboxylic acid
CID 69037879
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
3-[4-[4-[4-(3-fluorophenyl)phenyl]phenyl]phenyl]quinoline
CID 171056620
4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842765
4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567185
2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
CID 117225482
4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole
CID 91284164
6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 141418727
5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole
CID 67725641

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol?
The IUPAC name of 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol (CID 4984153) is 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol is CS(=O)(=O)c1cnc(-c2ccc(O)cc2)nc1-c1cccc(F)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol?
The InChIKey is KTOWAODWXGEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-24(22,23)15-10-19-17(11-5-7-14(21)8-6-11)20-16(15)12-3-2-4-13(18)9-12/h2-10,21H,1H3.
What are the key properties of 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol?
4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol has a molecular weight of 344.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]phenol is sourced from PubChem (CID 4984153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).