N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide

C15H19N3O2S — CID 62144424

IUPACN-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C15H19N3O2S/c1-3-18(12-13-7-5-4-6-8-13)21(19,20)14-9-10-17-15(11-14)16-2/h4-11H,3,12H2,1-2H3,(H,16,17)
InChIKeyJDNIKQVGBVELDC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.33
Rot. Bonds6

About N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide

N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62144424) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62144424
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C15H19N3O2S/c1-3-18(12-13-7-5-4-6-8-13)21(19,20)14-9-10-17-15(11-14)16-2/h4-11H,3,12H2,1-2H3,(H,16,17)
InChIKeyJDNIKQVGBVELDC-UHFFFAOYSA-N
XLogP2.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
CID 62144437
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-diethyl-2-(ethylamino)pyridine-4-sulfonamide
CID 62150008
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823
N-ethyl-2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 62146204
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146541
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-sulfonamide
CID 55044340
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide (CID 62144424) is N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccnc(NC)c1.
What is the InChIKey of N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is JDNIKQVGBVELDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-18(12-13-7-5-4-6-8-13)21(19,20)14-9-10-17-15(11-14)16-2/h4-11H,3,12H2,1-2H3,(H,16,17).
What are the key properties of N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide?
N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62144424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).