N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide

C14H20N2O2S — CID 10378936

IUPACN-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide
SMILESCCC1=CCCN(NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H20N2O2S/c1-3-13-5-4-10-16(11-13)15-19(17,18)14-8-6-12(2)7-9-14/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyXQJDQTZUYDOMJX-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.23
Rot. Bonds4

About N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide

N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide (PubChem CID 10378936) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide
PubChem CID10378936
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide
SMILESCCC1=CCCN(NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H20N2O2S/c1-3-13-5-4-10-16(11-13)15-19(17,18)14-8-6-12(2)7-9-14/h5-9,15H,3-4,10-11H2,1-2H3
InChIKeyXQJDQTZUYDOMJX-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide (CID 10378936) is N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide is CCC1=CCCN(NS(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is XQJDQTZUYDOMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-13-5-4-10-16(11-13)15-19(17,18)14-8-6-12(2)7-9-14/h5-9,15H,3-4,10-11H2,1-2H3.
What are the key properties of N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide?
N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10378936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).