(2,6-dichloro-3-pyridinyl)methanesulfonamide

C6H6Cl2N2O2S — CID 106994864

IUPAC(2,6-dichloro-3-pyridinyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2O2S/c7-5-2-1-4(6(8)10-5)3-13(9,11)12/h1-2H,3H2,(H2,9,11,12)
InChIKeyYQZOHFDKQGQSEQ-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.18
Rot. Bonds2

About (2,6-dichloro-3-pyridinyl)methanesulfonamide

(2,6-dichloro-3-pyridinyl)methanesulfonamide (PubChem CID 106994864) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)methanesulfonamide
PubChem CID106994864
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name(2,6-dichloro-3-pyridinyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2O2S/c7-5-2-1-4(6(8)10-5)3-13(9,11)12/h1-2H,3H2,(H2,9,11,12)
InChIKeyYQZOHFDKQGQSEQ-UHFFFAOYSA-N
XLogP1.18
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.18
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-3-pyridinyl)methanesulfonamide?
The IUPAC name of (2,6-dichloro-3-pyridinyl)methanesulfonamide (CID 106994864) is (2,6-dichloro-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)methanesulfonamide?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(Cl)nc1Cl.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)methanesulfonamide?
The InChIKey is YQZOHFDKQGQSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c7-5-2-1-4(6(8)10-5)3-13(9,11)12/h1-2H,3H2,(H2,9,11,12).
What are the key properties of (2,6-dichloro-3-pyridinyl)methanesulfonamide?
(2,6-dichloro-3-pyridinyl)methanesulfonamide has a molecular weight of 241.10 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 106994864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).