6-chloro-N,N-dimethylpyridine-3-sulfonamide

C7H9ClN2O2S — CID 4729855

IUPAC6-chloro-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C7H9ClN2O2S/c1-10(2)13(11,12)6-3-4-7(8)9-5-6/h3-5H,1-2H3
InChIKeyZKZTULWHDVRRJY-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.99
Rot. Bonds2

About 6-chloro-N,N-dimethylpyridine-3-sulfonamide

6-chloro-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 4729855) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 6-chloro-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N,N-dimethylpyridine-3-sulfonamide
PubChem CID4729855
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name6-chloro-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C7H9ClN2O2S/c1-10(2)13(11,12)6-3-4-7(8)9-5-6/h3-5H,1-2H3
InChIKeyZKZTULWHDVRRJY-UHFFFAOYSA-N
XLogP0.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.99
H-Bond Donors ≤ 50
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 6-chloro-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N,N-dimethylpyridine-3-sulfonamide (CID 4729855) is 6-chloro-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is ZKZTULWHDVRRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-10(2)13(11,12)6-3-4-7(8)9-5-6/h3-5H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethylpyridine-3-sulfonamide?
6-chloro-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 220.68 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 4729855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).