2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide

C11H18N2O4S — CID 39373158

IUPAC2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
SMILESCOCCOc1cccc(NS(=O)(=O)CCN)c1
InChIInChI=1S/C11H18N2O4S/c1-16-6-7-17-11-4-2-3-10(9-11)13-18(14,15)8-5-12/h2-4,9,13H,5-8,12H2,1H3
InChIKeyAHPGKRHIXZIAAY-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.41
Rot. Bonds8

About 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide

2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide (PubChem CID 39373158) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
PubChem CID39373158
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
SMILESCOCCOc1cccc(NS(=O)(=O)CCN)c1
InChIInChI=1S/C11H18N2O4S/c1-16-6-7-17-11-4-2-3-10(9-11)13-18(14,15)8-5-12/h2-4,9,13H,5-8,12H2,1H3
InChIKeyAHPGKRHIXZIAAY-UHFFFAOYSA-N
XLogP0.41
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.41
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-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359
N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide
CID 175293651
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 47267959
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
CID 63120963
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide (CID 39373158) is 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide is COCCOc1cccc(NS(=O)(=O)CCN)c1.
What is the InChIKey of 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide?
The InChIKey is AHPGKRHIXZIAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-16-6-7-17-11-4-2-3-10(9-11)13-18(14,15)8-5-12/h2-4,9,13H,5-8,12H2,1H3.
What are the key properties of 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide?
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 39373158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).