2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide

C11H17ClN2O3S — CID 55226922

IUPAC2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-3-14(8-9-17-4-2)18(15,16)10-6-5-7-13-11(10)12/h5-7H,3-4,8-9H2,1-2H3
InChIKeySVYSJVUMTNAJHG-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.78
Rot. Bonds7

About 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide

2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide (PubChem CID 55226922) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
PubChem CID55226922
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-3-14(8-9-17-4-2)18(15,16)10-6-5-7-13-11(10)12/h5-7H,3-4,8-9H2,1-2H3
InChIKeySVYSJVUMTNAJHG-UHFFFAOYSA-N
XLogP1.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide (CID 55226922) is 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide is CCOCCN(CC)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide?
The InChIKey is SVYSJVUMTNAJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-3-14(8-9-17-4-2)18(15,16)10-6-5-7-13-11(10)12/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide?
2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 55226922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).