N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine

C13H12F2N2O2S — CID 63668057

IUPACN-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2cccc(F)c2F)cn1
InChIInChI=1S/C13H12F2N2O2S/c1-20(18,19)12-6-5-10(8-17-12)16-7-9-3-2-4-11(14)13(9)15/h2-6,8,16H,7H2,1H3
InChIKeyGONZCWRNSOAPOQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.38
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine

N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 63668057) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
PubChem CID63668057
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC NameN-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2cccc(F)c2F)cn1
InChIInChI=1S/C13H12F2N2O2S/c1-20(18,19)12-6-5-10(8-17-12)16-7-9-3-2-4-11(14)13(9)15/h2-6,8,16H,7H2,1H3
InChIKeyGONZCWRNSOAPOQ-UHFFFAOYSA-N
XLogP2.38
TPSA59.06 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine
CID 80649324
6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473129
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
CID 63312056
N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
CID 43425578
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 104624412
N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
CID 43675220
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
CID 43675306
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine (CID 63668057) is N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(NCc2cccc(F)c2F)cn1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is GONZCWRNSOAPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-20(18,19)12-6-5-10(8-17-12)16-7-9-3-2-4-11(14)13(9)15/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 298.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 63668057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).