N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide

C11H18N2O3S — CID 55174195

IUPACN-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)CCOC
InChIInChI=1S/C11H18N2O3S/c1-3-13(17(14,15)8-7-16-2)11-6-4-5-10(12)9-11/h4-6,9H,3,7-8,12H2,1-2H3
InChIKeyAOLSZRYRUMLQBT-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.07
Rot. Bonds6

About N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide

N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide (PubChem CID 55174195) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide
PubChem CID55174195
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)CCOC
InChIInChI=1S/C11H18N2O3S/c1-3-13(17(14,15)8-7-16-2)11-6-4-5-10(12)9-11/h4-6,9H,3,7-8,12H2,1-2H3
InChIKeyAOLSZRYRUMLQBT-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide?
The IUPAC name of N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide (CID 55174195) is N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide is CCN(c1cccc(N)c1)S(=O)(=O)CCOC.
What is the InChIKey of N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide?
The InChIKey is AOLSZRYRUMLQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-13(17(14,15)8-7-16-2)11-6-4-5-10(12)9-11/h4-6,9H,3,7-8,12H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide?
N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide is sourced from PubChem (CID 55174195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).