N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide

C12H20N2O4S — CID 63245490

IUPACN-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccccc1OCCN
InChIInChI=1S/C12H20N2O4S/c1-2-17-9-10-19(15,16)14-11-5-3-4-6-12(11)18-8-7-13/h3-6,14H,2,7-10,13H2,1H3
InChIKeyBPNWNPRUJLQCGS-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.80
Rot. Bonds9

About N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide

N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide (PubChem CID 63245490) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
PubChem CID63245490
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccccc1OCCN
InChIInChI=1S/C12H20N2O4S/c1-2-17-9-10-19(15,16)14-11-5-3-4-6-12(11)18-8-7-13/h3-6,14H,2,7-10,13H2,1H3
InChIKeyBPNWNPRUJLQCGS-UHFFFAOYSA-N
XLogP0.80
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
CID 64792935
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
2-(2-aminoethoxy)-N-(cyclopropylsulfamoyl)aniline
CID 114803489
N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide
CID 107466325
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369684
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide (CID 63245490) is N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1ccccc1OCCN.
What is the InChIKey of N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide?
The InChIKey is BPNWNPRUJLQCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-2-17-9-10-19(15,16)14-11-5-3-4-6-12(11)18-8-7-13/h3-6,14H,2,7-10,13H2,1H3.
What are the key properties of N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide?
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63245490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).