2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one

C13H18N2O4S — CID 61367612

IUPAC2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H18N2O4S/c1-10(13(16)15-6-8-19-9-7-15)20(17,18)12-5-3-2-4-11(12)14/h2-5,10H,6-9,14H2,1H3
InChIKeyIXTNDJKOMKMMOI-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.29
Rot. Bonds3

About 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one

2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one (PubChem CID 61367612) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
PubChem CID61367612
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H18N2O4S/c1-10(13(16)15-6-8-19-9-7-15)20(17,18)12-5-3-2-4-11(12)14/h2-5,10H,6-9,14H2,1H3
InChIKeyIXTNDJKOMKMMOI-UHFFFAOYSA-N
XLogP0.29
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.29
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-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione
CID 15142118
2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 81201911
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfonylbenzoic acid
CID 43117031
2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 62113460
2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81183690
(2S)-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfonyl]propan-1-one
CID 95592004
2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81201309
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324
2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 110348840
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-phenylbenzenesulfonamide
CID 86864071
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117070
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one (CID 61367612) is 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is IXTNDJKOMKMMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(13(16)15-6-8-19-9-7-15)20(17,18)12-5-3-2-4-11(12)14/h2-5,10H,6-9,14H2,1H3.
What are the key properties of 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 298.36 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 61367612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).