N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide

C15H26N2O3S — CID 43591525

IUPACN-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(=O)(=O)NCCOCC)c1
InChIInChI=1S/C15H26N2O3S/c1-4-9-16-13(3)14-7-6-8-15(12-14)21(18,19)17-10-11-20-5-2/h6-8,12-13,16-17H,4-5,9-11H2,1-3H3
InChIKeyKUAYXJJXESWAGT-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.06
Rot. Bonds10

About N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide

N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide (PubChem CID 43591525) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
PubChem CID43591525
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(=O)(=O)NCCOCC)c1
InChIInChI=1S/C15H26N2O3S/c1-4-9-16-13(3)14-7-6-8-15(12-14)21(18,19)17-10-11-20-5-2/h6-8,12-13,16-17H,4-5,9-11H2,1-3H3
InChIKeyKUAYXJJXESWAGT-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-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591522
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide (CID 43591525) is N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide is CCCNC(C)c1cccc(S(=O)(=O)NCCOCC)c1.
What is the InChIKey of N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is KUAYXJJXESWAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-9-16-13(3)14-7-6-8-15(12-14)21(18,19)17-10-11-20-5-2/h6-8,12-13,16-17H,4-5,9-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide?
N-(2-ethoxyethyl)-3-[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)-3-[1-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43591525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).