[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine

C13H12F2N2O2S — CID 64698646

IUPAC[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1CS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2O2S/c14-10-3-4-11(15)13(6-10)20(18,19)8-9-2-1-5-17-12(9)7-16/h1-6H,7-8,16H2
InChIKeyWOPVBYDEXKCAPS-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.79
Rot. Bonds4

About [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine

[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine (PubChem CID 64698646) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
PubChem CID64698646
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1CS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2O2S/c14-10-3-4-11(15)13(6-10)20(18,19)8-9-2-1-5-17-12(9)7-16/h1-6H,7-8,16H2
InChIKeyWOPVBYDEXKCAPS-UHFFFAOYSA-N
XLogP1.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64699397
[3-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697383
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine
CID 103291310
4-(2,5-difluorophenyl)sulfonylbutan-1-amine
CID 64697007
[3-(oxan-4-ylsulfonylmethyl)-2-pyridinyl]methanamine
CID 64698078
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62894998
3-[(2,5-difluorophenyl)sulfonylmethyl]-4-methoxyaniline
CID 43519114
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
[2-[(2,5-dichlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
CID 64697782
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62895513
[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83231723

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine (CID 64698646) is [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine is NCc1ncccc1CS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The InChIKey is WOPVBYDEXKCAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-10-3-4-11(15)13(6-10)20(18,19)8-9-2-1-5-17-12(9)7-16/h1-6H,7-8,16H2.
What are the key properties of [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine has a molecular weight of 298.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 64698646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).