6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide

C17H15ClN2O2S — CID 1236939

IUPAC6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
SMILESCCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClN2O2S/c1-2-20(23(21,22)14-10-11-17(18)19-12-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3
InChIKeyFPXNCHNLQUODIO-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.10
Rot. Bonds4

About 6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide

6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide (PubChem CID 1236939) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
PubChem CID1236939
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
SMILESCCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClN2O2S/c1-2-20(23(21,22)14-10-11-17(18)19-12-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3
InChIKeyFPXNCHNLQUODIO-UHFFFAOYSA-N
XLogP4.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.10
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-naphthalen-1-ylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide (CID 1236939) is 6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide is CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide?
The InChIKey is FPXNCHNLQUODIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-2-20(23(21,22)14-10-11-17(18)19-12-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3.
What are the key properties of 6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide?
6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide has a molecular weight of 346.84 g/mol, XLogP of 4.10, 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-naphthalen-1-ylpyridine-3-sulfonamide is sourced from PubChem (CID 1236939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).