N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide

C16H21N3O3S — CID 9196231

IUPACN-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCCOC)nc1
InChIInChI=1S/C16H21N3O3S/c1-3-19(14-7-5-4-6-8-14)23(20,21)15-9-10-16(18-13-15)17-11-12-22-2/h4-10,13H,3,11-12H2,1-2H3,(H,17,18)
InChIKeyGNMVQNMMWGSUTA-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.36
Rot. Bonds8

About N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide

N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide (PubChem CID 9196231) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
PubChem CID9196231
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCCOC)nc1
InChIInChI=1S/C16H21N3O3S/c1-3-19(14-7-5-4-6-8-14)23(20,21)15-9-10-16(18-13-15)17-11-12-22-2/h4-10,13H,3,11-12H2,1-2H3,(H,17,18)
InChIKeyGNMVQNMMWGSUTA-UHFFFAOYSA-N
XLogP2.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
6-[(3-ethoxyphenyl)methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55828070
6-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 17490524
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2998477
6-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2161417

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide (CID 9196231) is N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCOC)nc1.
What is the InChIKey of N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide?
The InChIKey is GNMVQNMMWGSUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-19(14-7-5-4-6-8-14)23(20,21)15-9-10-16(18-13-15)17-11-12-22-2/h4-10,13H,3,11-12H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 9196231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).