[3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine

C14H14FNO2S2 — CID 102818754

IUPAC[3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Sc2cc(F)cc(CN)c2)cc1
InChIInChI=1S/C14H14FNO2S2/c1-20(17,18)14-4-2-12(3-5-14)19-13-7-10(9-16)6-11(15)8-13/h2-8H,9,16H2,1H3
InChIKeyOYESHXPMYOFBIX-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.84
Rot. Bonds4

About [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine

[3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine (PubChem CID 102818754) has the molecular formula C14H14FNO2S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
PubChem CID102818754
Molecular FormulaC14H14FNO2S2
Molecular Weight311.40 g/mol
Exact Mass311.04
IUPAC Name[3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Sc2cc(F)cc(CN)c2)cc1
InChIInChI=1S/C14H14FNO2S2/c1-20(17,18)14-4-2-12(3-5-14)19-13-7-10(9-16)6-11(15)8-13/h2-8H,9,16H2,1H3
InChIKeyOYESHXPMYOFBIX-UHFFFAOYSA-N
XLogP2.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 63237915
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
CID 63836085
2-[2-methyl-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 63818208
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
CID 172840672
[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 63238136
[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 102818678
N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 106533997
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 113305742
(3-methyl-5-methylsulfonylphenyl)methanamine
CID 143705583
3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
CID 63238314

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine (CID 102818754) is [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine is CS(=O)(=O)c1ccc(Sc2cc(F)cc(CN)c2)cc1.
What is the InChIKey of [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine?
The InChIKey is OYESHXPMYOFBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S2/c1-20(17,18)14-4-2-12(3-5-14)19-13-7-10(9-16)6-11(15)8-13/h2-8H,9,16H2,1H3.
What are the key properties of [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine?
[3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine has a molecular weight of 311.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 102818754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).