4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide

C15H26N2O3S — CID 106058279

IUPAC4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(OCCNCC)cc1
InChIInChI=1S/C15H26N2O3S/c1-3-5-6-11-17-21(18,19)15-9-7-14(8-10-15)20-13-12-16-4-2/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyODFJHYRBILZVNQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.14
Rot. Bonds11

About 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide

4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide (PubChem CID 106058279) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
PubChem CID106058279
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(OCCNCC)cc1
InChIInChI=1S/C15H26N2O3S/c1-3-5-6-11-17-21(18,19)15-9-7-14(8-10-15)20-13-12-16-4-2/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyODFJHYRBILZVNQ-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
CID 119973145
4-chloro-N-[2-[4-[2-(ethylamino)ethoxy]phenyl]ethyl]benzenesulfonamide
CID 19388056
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031479
ethyl 4-[(4-butoxyphenyl)sulfonylamino]butanoate
CID 3867578
N-[2-(4-methylsulfonylphenoxy)ethyl]butan-1-amine
CID 62584720
4-pentoxy-N-prop-2-enylbenzenesulfonamide
CID 43845618
4-[3-(methylamino)propoxy]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063766
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide?
The IUPAC name of 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide (CID 106058279) is 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(OCCNCC)cc1.
What is the InChIKey of 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide?
The InChIKey is ODFJHYRBILZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-5-6-11-17-21(18,19)15-9-7-14(8-10-15)20-13-12-16-4-2/h7-10,16-17H,3-6,11-13H2,1-2H3.
What are the key properties of 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide?
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide is sourced from PubChem (CID 106058279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).