2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide

C13H18N4O3S — CID 65230784

IUPAC2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O3S/c14-12-3-1-2-4-13(12)20-7-8-21(18,19)17-6-5-11-9-15-10-16-11/h1-4,9-10,17H,5-8,14H2,(H,15,16)
InChIKeyHNWKWNMCVXFUOK-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.53
Rot. Bonds8

About 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide

2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 65230784) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
PubChem CID65230784
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
SMILESNc1ccccc1OCCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O3S/c14-12-3-1-2-4-13(12)20-7-8-21(18,19)17-6-5-11-9-15-10-16-11/h1-4,9-10,17H,5-8,14H2,(H,15,16)
InChIKeyHNWKWNMCVXFUOK-UHFFFAOYSA-N
XLogP0.53
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106392325
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
methyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
CID 65231275
2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65230688
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059991
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
CID 65231882
1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
CID 65231409
N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
CID 79673996
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide (CID 65230784) is 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide is Nc1ccccc1OCCS(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is HNWKWNMCVXFUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c14-12-3-1-2-4-13(12)20-7-8-21(18,19)17-6-5-11-9-15-10-16-11/h1-4,9-10,17H,5-8,14H2,(H,15,16).
What are the key properties of 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide?
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 65230784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).