2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide

C11H18N2O4S — CID 43551896

IUPAC2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide
SMILESCCOc1cccc(CNCCS(N)(=O)=O)c1O
InChIInChI=1S/C11H18N2O4S/c1-2-17-10-5-3-4-9(11(10)14)8-13-6-7-18(12,15)16/h3-5,13-14H,2,6-8H2,1H3,(H2,12,15,16)
InChIKeyIYLZLPVOFGZNLU-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.17
Rot. Bonds7

About 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide

2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide (PubChem CID 43551896) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide
PubChem CID43551896
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide
SMILESCCOc1cccc(CNCCS(N)(=O)=O)c1O
InChIInChI=1S/C11H18N2O4S/c1-2-17-10-5-3-4-9(11(10)14)8-13-6-7-18(12,15)16/h3-5,13-14H,2,6-8H2,1H3,(H2,12,15,16)
InChIKeyIYLZLPVOFGZNLU-UHFFFAOYSA-N
XLogP0.17
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide (CID 43551896) is 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide is CCOc1cccc(CNCCS(N)(=O)=O)c1O.
What is the InChIKey of 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide?
The InChIKey is IYLZLPVOFGZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-2-17-10-5-3-4-9(11(10)14)8-13-6-7-18(12,15)16/h3-5,13-14H,2,6-8H2,1H3,(H2,12,15,16).
What are the key properties of 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide?
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 43551896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).