N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide

C15H19N3O3S — CID 9107044

IUPACN-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)OC)nc1
InChIInChI=1S/C15H19N3O3S/c1-4-18(13-8-6-5-7-9-13)22(19,20)14-10-11-15(16-12-14)17(2)21-3/h5-12H,4H2,1-3H3
InChIKeyDBJKCOMHIGUINX-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.29
Rot. Bonds6

About N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide (PubChem CID 9107044) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
PubChem CID9107044
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)OC)nc1
InChIInChI=1S/C15H19N3O3S/c1-4-18(13-8-6-5-7-9-13)22(19,20)14-10-11-15(16-12-14)17(2)21-3/h5-12H,4H2,1-3H3
InChIKeyDBJKCOMHIGUINX-UHFFFAOYSA-N
XLogP2.29
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide
CID 42951292
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide
CID 26447742
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
CID 4816822
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide (CID 9107044) is N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)OC)nc1.
What is the InChIKey of N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide?
The InChIKey is DBJKCOMHIGUINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-18(13-8-6-5-7-9-13)22(19,20)14-10-11-15(16-12-14)17(2)21-3/h5-12H,4H2,1-3H3.
What are the key properties of N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 9107044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).