4,6-dichloro-3-methylsulfonylpyridin-2-amine

C6H6Cl2N2O2S — CID 134119593

IUPAC4,6-dichloro-3-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1c(Cl)cc(Cl)nc1N
InChIInChI=1S/C6H6Cl2N2O2S/c1-13(11,12)5-3(7)2-4(8)10-6(5)9/h2H,1H3,(H2,9,10)
InChIKeyCEPOVZCRBMQELL-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.37
Rot. Bonds1

About 4,6-dichloro-3-methylsulfonylpyridin-2-amine

4,6-dichloro-3-methylsulfonylpyridin-2-amine (PubChem CID 134119593) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 4,6-dichloro-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-3-methylsulfonylpyridin-2-amine
PubChem CID134119593
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name4,6-dichloro-3-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1c(Cl)cc(Cl)nc1N
InChIInChI=1S/C6H6Cl2N2O2S/c1-13(11,12)5-3(7)2-4(8)10-6(5)9/h2H,1H3,(H2,9,10)
InChIKeyCEPOVZCRBMQELL-UHFFFAOYSA-N
XLogP1.37
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-methylsulfonylpyridin-2-amine?
The IUPAC name of 4,6-dichloro-3-methylsulfonylpyridin-2-amine (CID 134119593) is 4,6-dichloro-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for 4,6-dichloro-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for 4,6-dichloro-3-methylsulfonylpyridin-2-amine is CS(=O)(=O)c1c(Cl)cc(Cl)nc1N.
What is the InChIKey of 4,6-dichloro-3-methylsulfonylpyridin-2-amine?
The InChIKey is CEPOVZCRBMQELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c1-13(11,12)5-3(7)2-4(8)10-6(5)9/h2H,1H3,(H2,9,10).
What are the key properties of 4,6-dichloro-3-methylsulfonylpyridin-2-amine?
4,6-dichloro-3-methylsulfonylpyridin-2-amine has a molecular weight of 241.10 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 134119593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).