2-(2-aminophenyl)sulfonylethyl acetate

C10H13NO4S — CID 18430337

IUPAC2-(2-aminophenyl)sulfonylethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H13NO4S/c1-8(12)15-6-7-16(13,14)10-5-3-2-4-9(10)11/h2-5H,6-7,11H2,1H3
InChIKeyLAODXEZLPQMXLE-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.61
Rot. Bonds4

About 2-(2-aminophenyl)sulfonylethyl acetate

2-(2-aminophenyl)sulfonylethyl acetate (PubChem CID 18430337) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfonylethyl acetate.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfonylethyl acetate
PubChem CID18430337
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(2-aminophenyl)sulfonylethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H13NO4S/c1-8(12)15-6-7-16(13,14)10-5-3-2-4-9(10)11/h2-5H,6-7,11H2,1H3
InChIKeyLAODXEZLPQMXLE-UHFFFAOYSA-N
XLogP0.61
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methanesulfonylaniline
CID 244659
Ethanol, 2-((4-aminophenyl)sulfonyl)-, 1-(hydrogen sulfate)
CID 75615
2-Amino-3-(2-amino-benzenesulfonyl)-propionic acid
CID 18368983
S-(2-Aminophenyl)-L-cysteine S,S-dioxide
CID 10263849
2-(Propane-2-sulfonyl)aniline
CID 12646366
Sodium 2-(p-aminophenylsulfonyl)ethyl sulfate
CID 23681028
2-(Cyclopentylsulfonyl)benzenamine
CID 12646367
2-(3-Aminophenyl)sulfonylethyl acetate
CID 18349459
2-(3-Acetamidophenyl)sulfonylethyl acetate
CID 44377268
2-(3-Aminophenyl)sulfonylethyl oct-2-ynoate
CID 44377269
2-(2-Aminobenzene-1-sulfonyl)ethan-1-ol
CID 13765253
(R)-2-Amino-3-(2-amino-benzenesulfonyl)-propionic acid
CID 44322835

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfonylethyl acetate?
The IUPAC name of 2-(2-aminophenyl)sulfonylethyl acetate (CID 18430337) is 2-(2-aminophenyl)sulfonylethyl acetate.
What is the SMILES notation for 2-(2-aminophenyl)sulfonylethyl acetate?
The canonical SMILES for 2-(2-aminophenyl)sulfonylethyl acetate is CC(=O)OCCS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfonylethyl acetate?
The InChIKey is LAODXEZLPQMXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8(12)15-6-7-16(13,14)10-5-3-2-4-9(10)11/h2-5H,6-7,11H2,1H3.
What are the key properties of 2-(2-aminophenyl)sulfonylethyl acetate?
2-(2-aminophenyl)sulfonylethyl acetate has a molecular weight of 243.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfonylethyl acetate is sourced from PubChem (CID 18430337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).