6-chloro-N,N-diethylpyridine-3-sulfonamide

C9H13ClN2O2S — CID 2433226

IUPAC6-chloro-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2O2S/c1-3-12(4-2)15(13,14)8-5-6-9(10)11-7-8/h5-7H,3-4H2,1-2H3
InChIKeyOHBWIMRJRWBVEZ-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.77
Rot. Bonds4

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

6-chloro-N,N-diethylpyridine-3-sulfonamide (PubChem CID 2433226) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 6-chloro-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N,N-diethylpyridine-3-sulfonamide
PubChem CID2433226
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name6-chloro-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2O2S/c1-3-12(4-2)15(13,14)8-5-6-9(10)11-7-8/h5-7H,3-4H2,1-2H3
InChIKeyOHBWIMRJRWBVEZ-UHFFFAOYSA-N
XLogP1.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.77
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-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N,N-diethylpyridine-3-sulfonamide (CID 2433226) is 6-chloro-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is OHBWIMRJRWBVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-3-12(4-2)15(13,14)8-5-6-9(10)11-7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethylpyridine-3-sulfonamide?
6-chloro-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 248.73 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 2433226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).