1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine

C13H11ClN2O2S — CID 10979321

IUPAC1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine
SMILESCS(=O)(=O)c1ccc(/N=C/c2ccc(Cl)nc2)cc1
InChIInChI=1S/C13H11ClN2O2S/c1-19(17,18)12-5-3-11(4-6-12)15-8-10-2-7-13(14)16-9-10/h2-9H,1H3/b15-8+
InChIKeyKETGZQOKYDJDRN-OVCLIPMQSA-N
MW294.76 g/mol
LogP2.89
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine

1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine (PubChem CID 10979321) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine
PubChem CID10979321
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine
SMILESCS(=O)(=O)c1ccc(/N=C/c2ccc(Cl)nc2)cc1
InChIInChI=1S/C13H11ClN2O2S/c1-19(17,18)12-5-3-11(4-6-12)15-8-10-2-7-13(14)16-9-10/h2-9H,1H3/b15-8+
InChIKeyKETGZQOKYDJDRN-OVCLIPMQSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine (CID 10979321) is 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine is CS(=O)(=O)c1ccc(/N=C/c2ccc(Cl)nc2)cc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine?
The InChIKey is KETGZQOKYDJDRN-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-19(17,18)12-5-3-11(4-6-12)15-8-10-2-7-13(14)16-9-10/h2-9H,1H3/b15-8+.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine?
1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine has a molecular weight of 294.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine is sourced from PubChem (CID 10979321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).