N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide

C15H26N2O3S — CID 43591522

IUPACN-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1ccc(S(=O)(=O)NCCOCC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-10-16-13(3)14-6-8-15(9-7-14)21(18,19)17-11-12-20-5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyINXIPGWBKPADSF-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.06
Rot. Bonds10

About N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide

N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide (PubChem CID 43591522) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
PubChem CID43591522
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1ccc(S(=O)(=O)NCCOCC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-10-16-13(3)14-6-8-15(9-7-14)21(18,19)17-11-12-20-5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyINXIPGWBKPADSF-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.06
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

N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591525
N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506735
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531
4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
CID 63004765
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957667
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
3-butoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115704386
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
CID 43403695
4-[1-(propylamino)ethyl]-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912868
4-[1-(2-ethoxyethylamino)ethyl]benzonitrile
CID 43590856

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide (CID 43591522) is N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide is CCCNC(C)c1ccc(S(=O)(=O)NCCOCC)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is INXIPGWBKPADSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-10-16-13(3)14-6-8-15(9-7-14)21(18,19)17-11-12-20-5-2/h6-9,13,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide?
N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43591522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).