2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide

C12H9Cl3N2O2S — CID 107266790

IUPAC2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1nc(Cl)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H9Cl3N2O2S/c1-7-10(5-6-11(15)16-7)17-20(18,19)12-8(13)3-2-4-9(12)14/h2-6,17H,1H3
InChIKeyOBOMRIBJOJUDHL-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.15
Rot. Bonds3

About 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide

2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 107266790) has the molecular formula C12H9Cl3N2O2S and a molecular weight of 351.64 g/mol. Its IUPAC name is 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID107266790
Molecular FormulaC12H9Cl3N2O2S
Molecular Weight351.64 g/mol
Exact Mass349.95
IUPAC Name2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1nc(Cl)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H9Cl3N2O2S/c1-7-10(5-6-11(15)16-7)17-20(18,19)12-8(13)3-2-4-9(12)14/h2-6,17H,1H3
InChIKeyOBOMRIBJOJUDHL-UHFFFAOYSA-N
XLogP4.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide (CID 107266790) is 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide is Cc1nc(Cl)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is OBOMRIBJOJUDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O2S/c1-7-10(5-6-11(15)16-7)17-20(18,19)12-8(13)3-2-4-9(12)14/h2-6,17H,1H3.
What are the key properties of 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide?
2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 351.64 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107266790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).