2-(4-methylphenyl)sulfonylpyridin-3-amine

C12H12N2O2S — CID 1472344

IUPAC2-(4-methylphenyl)sulfonylpyridin-3-amine
SMILESCc1ccc(S(=O)(=O)c2ncccc2N)cc1
InChIInChI=1S/C12H12N2O2S/c1-9-4-6-10(7-5-9)17(15,16)12-11(13)3-2-8-14-12/h2-8H,13H2,1H3
InChIKeyLEILGWGBFNXOBK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-methylphenyl)sulfonylpyridin-3-amine

2-(4-methylphenyl)sulfonylpyridin-3-amine (PubChem CID 1472344) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylpyridin-3-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylpyridin-3-amine
PubChem CID1472344
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(4-methylphenyl)sulfonylpyridin-3-amine
SMILESCc1ccc(S(=O)(=O)c2ncccc2N)cc1
InChIInChI=1S/C12H12N2O2S/c1-9-4-6-10(7-5-9)17(15,16)12-11(13)3-2-8-14-12/h2-8H,13H2,1H3
InChIKeyLEILGWGBFNXOBK-UHFFFAOYSA-N
XLogP1.81
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylpyridin-3-amine?
The IUPAC name of 2-(4-methylphenyl)sulfonylpyridin-3-amine (CID 1472344) is 2-(4-methylphenyl)sulfonylpyridin-3-amine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylpyridin-3-amine?
The canonical SMILES for 2-(4-methylphenyl)sulfonylpyridin-3-amine is Cc1ccc(S(=O)(=O)c2ncccc2N)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylpyridin-3-amine?
The InChIKey is LEILGWGBFNXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-4-6-10(7-5-9)17(15,16)12-11(13)3-2-8-14-12/h2-8H,13H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonylpyridin-3-amine?
2-(4-methylphenyl)sulfonylpyridin-3-amine has a molecular weight of 248.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylpyridin-3-amine is sourced from PubChem (CID 1472344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).