4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide

C13H22N2O4S — CID 106078716

IUPAC4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C13H22N2O4S/c1-3-18-11(2)10-15-20(16,17)13-6-4-12(5-7-13)19-9-8-14/h4-7,11,15H,3,8-10,14H2,1-2H3
InChIKeyHIDHMZVPNMRMGO-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.73
Rot. Bonds9

About 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide

4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide (PubChem CID 106078716) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
PubChem CID106078716
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C13H22N2O4S/c1-3-18-11(2)10-15-20(16,17)13-6-4-12(5-7-13)19-9-8-14/h4-7,11,15H,3,8-10,14H2,1-2H3
InChIKeyHIDHMZVPNMRMGO-UHFFFAOYSA-N
XLogP0.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
4-(2-aminoethoxy)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064727
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078885
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
N-[2-(aminomethoxy)propyl]benzenesulfonamide
CID 172608370
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700
4-(2-aminoethoxy)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066211

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide (CID 106078716) is 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide is CCOC(C)CNS(=O)(=O)c1ccc(OCCN)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide?
The InChIKey is HIDHMZVPNMRMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-18-11(2)10-15-20(16,17)13-6-4-12(5-7-13)19-9-8-14/h4-7,11,15H,3,8-10,14H2,1-2H3.
What are the key properties of 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide?
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide is sourced from PubChem (CID 106078716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).