2-(2-aminoethoxy)-N-propylbenzenesulfonamide

C11H18N2O3S — CID 62349526

IUPAC2-(2-aminoethoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1OCCN
InChIInChI=1S/C11H18N2O3S/c1-2-8-13-17(14,15)11-6-4-3-5-10(11)16-9-7-12/h3-6,13H,2,7-9,12H2,1H3
InChIKeyUGUPXAVFHZYGKV-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.71
Rot. Bonds7

About 2-(2-aminoethoxy)-N-propylbenzenesulfonamide

2-(2-aminoethoxy)-N-propylbenzenesulfonamide (PubChem CID 62349526) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-propylbenzenesulfonamide
PubChem CID62349526
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-(2-aminoethoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1OCCN
InChIInChI=1S/C11H18N2O3S/c1-2-8-13-17(14,15)11-6-4-3-5-10(11)16-9-7-12/h3-6,13H,2,7-9,12H2,1H3
InChIKeyUGUPXAVFHZYGKV-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(2-aminoethoxy)-N-propylbenzenesulfonamide (CID 62349526) is 2-(2-aminoethoxy)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-propylbenzenesulfonamide?
The InChIKey is UGUPXAVFHZYGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-8-13-17(14,15)11-6-4-3-5-10(11)16-9-7-12/h3-6,13H,2,7-9,12H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-propylbenzenesulfonamide?
2-(2-aminoethoxy)-N-propylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-propylbenzenesulfonamide is sourced from PubChem (CID 62349526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).