2-chloro-N,4-dimethylpyridine-3-sulfonamide

C7H9ClN2O2S — CID 130548882

IUPAC2-chloro-N,4-dimethylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1c(C)ccnc1Cl
InChIInChI=1S/C7H9ClN2O2S/c1-5-3-4-10-7(8)6(5)13(11,12)9-2/h3-4,9H,1-2H3
InChIKeyPYXWSQTYJCNLLT-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.95
Rot. Bonds2

About 2-chloro-N,4-dimethylpyridine-3-sulfonamide

2-chloro-N,4-dimethylpyridine-3-sulfonamide (PubChem CID 130548882) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-chloro-N,4-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N,4-dimethylpyridine-3-sulfonamide
PubChem CID130548882
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name2-chloro-N,4-dimethylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1c(C)ccnc1Cl
InChIInChI=1S/C7H9ClN2O2S/c1-5-3-4-10-7(8)6(5)13(11,12)9-2/h3-4,9H,1-2H3
InChIKeyPYXWSQTYJCNLLT-UHFFFAOYSA-N
XLogP0.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.95
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-chloro-N,4-dimethylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N,4-dimethylpyridine-3-sulfonamide (CID 130548882) is 2-chloro-N,4-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N,4-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N,4-dimethylpyridine-3-sulfonamide is CNS(=O)(=O)c1c(C)ccnc1Cl.
What is the InChIKey of 2-chloro-N,4-dimethylpyridine-3-sulfonamide?
The InChIKey is PYXWSQTYJCNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-5-3-4-10-7(8)6(5)13(11,12)9-2/h3-4,9H,1-2H3.
What are the key properties of 2-chloro-N,4-dimethylpyridine-3-sulfonamide?
2-chloro-N,4-dimethylpyridine-3-sulfonamide has a molecular weight of 220.68 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 130548882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).