2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione

C17H23N3O6S — CID 15142118

IUPAC2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione
SMILESNc1ccccc1S(=O)(=O)C(C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O6S/c18-13-3-1-2-4-14(13)27(23,24)15(16(21)19-5-9-25-10-6-19)17(22)20-7-11-26-12-8-20/h1-4,15H,5-12,18H2
InChIKeyGEZUUFZAHCIQTJ-UHFFFAOYSA-N
MW397.45 g/mol
LogP-0.87
Rot. Bonds4

About 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione

2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione (PubChem CID 15142118) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione
PubChem CID15142118
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione
SMILESNc1ccccc1S(=O)(=O)C(C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O6S/c18-13-3-1-2-4-14(13)27(23,24)15(16(21)19-5-9-25-10-6-19)17(22)20-7-11-26-12-8-20/h1-4,15H,5-12,18H2
InChIKeyGEZUUFZAHCIQTJ-UHFFFAOYSA-N
XLogP-0.87
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 61367612
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-(2-nitrophenyl)sulfonyl-1,3-dipyrrolidin-1-ylpropane-1,3-dione
CID 15142116
2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 81201911
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783
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
4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
CID 110286962
(5S)-6-morpholin-4-yl-6-oxo-5-phenylhexanamide
CID 67937720
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione?
The IUPAC name of 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione (CID 15142118) is 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione.
What is the SMILES notation for 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione?
The canonical SMILES for 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione is Nc1ccccc1S(=O)(=O)C(C(=O)N1CCOCC1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione?
The InChIKey is GEZUUFZAHCIQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c18-13-3-1-2-4-14(13)27(23,24)15(16(21)19-5-9-25-10-6-19)17(22)20-7-11-26-12-8-20/h1-4,15H,5-12,18H2.
What are the key properties of 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione?
2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione has a molecular weight of 397.45 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione is sourced from PubChem (CID 15142118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).