(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine

C13H13FN2O2S — CID 115804928

IUPAC(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(C(N)c2cncc(F)c2)cc1
InChIInChI=1S/C13H13FN2O2S/c1-19(17,18)12-4-2-9(3-5-12)13(15)10-6-11(14)8-16-7-10/h2-8,13H,15H2,1H3
InChIKeyRYJUQUYNHUTYQR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.67
Rot. Bonds3

About (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine

(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine (PubChem CID 115804928) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
PubChem CID115804928
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(C(N)c2cncc(F)c2)cc1
InChIInChI=1S/C13H13FN2O2S/c1-19(17,18)12-4-2-9(3-5-12)13(15)10-6-11(14)8-16-7-10/h2-8,13H,15H2,1H3
InChIKeyRYJUQUYNHUTYQR-UHFFFAOYSA-N
XLogP1.67
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 43197870
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 115804926
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374243
1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine
CID 84587895
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 105006479
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
(3-bromo-2-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 106647644
(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
CID 80533218
methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
CID 131354218

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine (CID 115804928) is (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc(C(N)c2cncc(F)c2)cc1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine?
The InChIKey is RYJUQUYNHUTYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-19(17,18)12-4-2-9(3-5-12)13(15)10-6-11(14)8-16-7-10/h2-8,13H,15H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine?
(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine has a molecular weight of 280.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 115804928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).