2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide

C13H13ClN2O2S — CID 24621325

IUPAC2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cccnc2Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c1-2-10-5-3-6-11(9-10)16-19(17,18)12-7-4-8-15-13(12)14/h3-9,16H,2H2,1H3
InChIKeyWKVSXGOARKVFPM-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide

2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide (PubChem CID 24621325) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
PubChem CID24621325
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cccnc2Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c1-2-10-5-3-6-11(9-10)16-19(17,18)12-7-4-8-15-13(12)14/h3-9,16H,2H2,1H3
InChIKeyWKVSXGOARKVFPM-UHFFFAOYSA-N
XLogP3.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
N-(3-ethylphenyl)pyridine-2-sulfonamide
CID 67565790
2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide
CID 61051825
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
2-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 113353666
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide
CID 24621363
2-chloro-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62814206
N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide (CID 24621325) is 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide is CCc1cccc(NS(=O)(=O)c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide?
The InChIKey is WKVSXGOARKVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-2-10-5-3-6-11(9-10)16-19(17,18)12-7-4-8-15-13(12)14/h3-9,16H,2H2,1H3.
What are the key properties of 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide?
2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide has a molecular weight of 296.78 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 24621325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).