4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine

C11H9FN2O2S2 — CID 113305742

IUPAC4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
SMILESCS(=O)(=O)c1ccc(Sc2cc(F)ncn2)cc1
InChIInChI=1S/C11H9FN2O2S2/c1-18(15,16)9-4-2-8(3-5-9)17-11-6-10(12)13-7-14-11/h2-7H,1H3
InChIKeyROVXZLWIMHUQAP-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.17
Rot. Bonds3

About 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine

4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine (PubChem CID 113305742) has the molecular formula C11H9FN2O2S2 and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
PubChem CID113305742
Molecular FormulaC11H9FN2O2S2
Molecular Weight284.34 g/mol
Exact Mass284.01
IUPAC Name4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
SMILESCS(=O)(=O)c1ccc(Sc2cc(F)ncn2)cc1
InChIInChI=1S/C11H9FN2O2S2/c1-18(15,16)9-4-2-8(3-5-9)17-11-6-10(12)13-7-14-11/h2-7H,1H3
InChIKeyROVXZLWIMHUQAP-UHFFFAOYSA-N
XLogP2.17
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 55175211
4-ethyl-5-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 84593205
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
5-bromo-2-(4-methylsulfonylphenyl)sulfanylpyridine
CID 63237967
6-(4-methylsulfonylphenyl)sulfanylpyrazin-2-amine
CID 80647495
2-chloro-4-(4-methylsulfonylphenyl)sulfanylpyridine
CID 63778848
6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine
CID 133301281
6-(4-methylsulfonylphenyl)sulfanylpyridine-2,3-diamine
CID 79826303
4-fluoro-3-(4-methylsulfonylphenyl)sulfanylbenzoic acid
CID 80549528
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951660
3-(4-methylsulfonylphenyl)sulfanylpyrazine-2-carbonitrile
CID 55139243
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine?
The IUPAC name of 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine (CID 113305742) is 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine?
The canonical SMILES for 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine is CS(=O)(=O)c1ccc(Sc2cc(F)ncn2)cc1.
What is the InChIKey of 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine?
The InChIKey is ROVXZLWIMHUQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S2/c1-18(15,16)9-4-2-8(3-5-9)17-11-6-10(12)13-7-14-11/h2-7H,1H3.
What are the key properties of 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine?
4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine has a molecular weight of 284.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine is sourced from PubChem (CID 113305742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).