N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide

C15H26N2O2S — CID 63561329

IUPACN-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
SMILESCCNC(CC)C(C)c1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-15(16-6-2)12(4)13-8-10-14(11-9-13)20(18,19)17-7-3/h8-12,15-17H,5-7H2,1-4H3
InChIKeyKSOTVKLNRVALIN-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.48
Rot. Bonds8

About N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide

N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide (PubChem CID 63561329) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
PubChem CID63561329
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
SMILESCCNC(CC)C(C)c1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-15(16-6-2)12(4)13-8-10-14(11-9-13)20(18,19)17-7-3/h8-12,15-17H,5-7H2,1-4H3
InChIKeyKSOTVKLNRVALIN-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(4-propylsulfonylphenyl)pentan-3-amine
CID 63561716
N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 63200532
N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide
CID 55218470
4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide
CID 63200044
N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63560932
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
CID 63004765
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
4-(2-chloro-1-cyanoethyl)-N-ethylbenzenesulfonamide
CID 63216282
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63561312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide (CID 63561329) is N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide is CCNC(CC)C(C)c1ccc(S(=O)(=O)NCC)cc1.
What is the InChIKey of N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide?
The InChIKey is KSOTVKLNRVALIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-15(16-6-2)12(4)13-8-10-14(11-9-13)20(18,19)17-7-3/h8-12,15-17H,5-7H2,1-4H3.
What are the key properties of N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide?
N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 63561329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).