6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide

C12H12ClN3O2S — CID 113258214

IUPAC6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3O2S/c1-2-16(10-5-7-14-8-6-10)19(17,18)11-3-4-12(13)15-9-11/h3-9H,2H2,1H3
InChIKeyREZVXLMWKAMOQH-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.35
Rot. Bonds4

About 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide

6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide (PubChem CID 113258214) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
PubChem CID113258214
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3O2S/c1-2-16(10-5-7-14-8-6-10)19(17,18)11-3-4-12(13)15-9-11/h3-9H,2H2,1H3
InChIKeyREZVXLMWKAMOQH-UHFFFAOYSA-N
XLogP2.35
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937084
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422496
CID 174467940
CID 174467940
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 103768578
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934561

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide (CID 113258214) is 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide is CCN(c1ccncc1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide?
The InChIKey is REZVXLMWKAMOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-2-16(10-5-7-14-8-6-10)19(17,18)11-3-4-12(13)15-9-11/h3-9H,2H2,1H3.
What are the key properties of 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide?
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 113258214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).