6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide

C13H13ClN2O2S — CID 2433221

IUPAC6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN2O2S/c1-2-16(11-6-4-3-5-7-11)19(17,18)12-8-9-13(14)15-10-12/h3-10H,2H2,1H3
InChIKeyHWBNYAVEICJOTN-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.95
Rot. Bonds4

About 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide

6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 2433221) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID2433221
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H13ClN2O2S/c1-2-16(11-6-4-3-5-7-11)19(17,18)12-8-9-13(14)15-10-12/h3-10H,2H2,1H3
InChIKeyHWBNYAVEICJOTN-UHFFFAOYSA-N
XLogP2.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.95
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-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 2433221) is 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is HWBNYAVEICJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-2-16(11-6-4-3-5-7-11)19(17,18)12-8-9-13(14)15-10-12/h3-10H,2H2,1H3.
What are the key properties of 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 2433221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).