N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H22N2O3S — CID 43629470

IUPACN-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H22N2O3S/c1-4-11(5-2)10-15(6-3)19(17,18)12-7-8-13(16)14-9-12/h7-9,11H,4-6,10H2,1-3H3,(H,14,16)
InChIKeyMPUMTHNVTBENCD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.82
Rot. Bonds7

About N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide

N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629470) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629470
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H22N2O3S/c1-4-11(5-2)10-15(6-3)19(17,18)12-7-8-13(16)14-9-12/h7-9,11H,4-6,10H2,1-3H3,(H,14,16)
InChIKeyMPUMTHNVTBENCD-UHFFFAOYSA-N
XLogP1.82
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-sulfonamide
CID 60958995
methyl 3-[2-methylpropyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]propanoate
CID 60959587
N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 60764490
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 107858285
N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61437323
2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587327
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 106267582
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
4-amino-2-cyano-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587343
6-oxo-1H-pyridine-3-sulfonyl iodide
CID 175697011

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 43629470) is N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is MPUMTHNVTBENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-11(5-2)10-15(6-3)19(17,18)12-7-8-13(16)14-9-12/h7-9,11H,4-6,10H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).