N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide

C15H26N2O3S — CID 63692201

IUPACN-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CCOCC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-11-16-14-7-9-15(10-8-14)21(18,19)17(5-2)12-13-20-6-3/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyWQOWIUHBEFGZMT-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.56
Rot. Bonds10

About N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide

N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide (PubChem CID 63692201) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
PubChem CID63692201
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CCOCC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-11-16-14-7-9-15(10-8-14)21(18,19)17(5-2)12-13-20-6-3/h7-10,16H,4-6,11-13H2,1-3H3
InChIKeyWQOWIUHBEFGZMT-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
CID 63691304
4-[2-ethoxyethyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 63690581
N,N-diethyl-4-(2-phenoxyethylamino)benzenesulfonamide
CID 78841739
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82847137
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 3821573
N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)benzenesulfonamide
CID 63690094
4-bromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylbenzenesulfonamide
CID 114263617
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
5-[2-ethoxyethyl(ethyl)sulfamoyl]-2-hydroxybenzoic acid
CID 63697925

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide (CID 63692201) is N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)N(CC)CCOCC)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide?
The InChIKey is WQOWIUHBEFGZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-11-16-14-7-9-15(10-8-14)21(18,19)17(5-2)12-13-20-6-3/h7-10,16H,4-6,11-13H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide?
N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 63692201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).