2-[(4-fluorophenyl)methylsulfonyl]pyrimidine

C11H9FN2O2S — CID 134097933

IUPAC2-[(4-fluorophenyl)methylsulfonyl]pyrimidine
SMILESO=S(=O)(Cc1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C11H9FN2O2S/c12-10-4-2-9(3-5-10)8-17(15,16)11-13-6-1-7-14-11/h1-7H,8H2
InChIKeyXDAUTTKVRKEYJJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.59
Rot. Bonds3

About 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine

2-[(4-fluorophenyl)methylsulfonyl]pyrimidine (PubChem CID 134097933) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonyl]pyrimidine
PubChem CID134097933
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name2-[(4-fluorophenyl)methylsulfonyl]pyrimidine
SMILESO=S(=O)(Cc1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C11H9FN2O2S/c12-10-4-2-9(3-5-10)8-17(15,16)11-13-6-1-7-14-11/h1-7H,8H2
InChIKeyXDAUTTKVRKEYJJ-UHFFFAOYSA-N
XLogP1.59
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenyl)methylsulfonyl]pyridine
CID 22764648
6-[(4-fluorophenyl)sulfonylmethyl]quinoline
CID 64717108
(4-fluorophenyl)methanesulfonamide
CID 16785078
5-benzylsulfonyl-2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-amine
CID 45032911
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
CID 90558927
1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
CID 86804588
(2-fluorophenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate
CID 39867650
(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 151287541
potassium;(4-fluorophenyl)methanesulfonamide;hydride
CID 175451453
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine (CID 134097933) is 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine is O=S(=O)(Cc1ccc(F)cc1)c1ncccn1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine?
The InChIKey is XDAUTTKVRKEYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-10-4-2-9(3-5-10)8-17(15,16)11-13-6-1-7-14-11/h1-7H,8H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine?
2-[(4-fluorophenyl)methylsulfonyl]pyrimidine has a molecular weight of 252.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonyl]pyrimidine is sourced from PubChem (CID 134097933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).