4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

C15H20N2O6S — CID 119216337

IUPAC4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O6S/c1-10(2)16-24(21,22)12-5-3-11(4-6-12)14(18)17-7-8-23-9-13(17)15(19)20/h3-6,10,13,16H,7-9H2,1-2H3,(H,19,20)
InChIKeyGKHWHPKRGLGAHW-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.30
Rot. Bonds5

About 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119216337) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID119216337
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O6S/c1-10(2)16-24(21,22)12-5-3-11(4-6-12)14(18)17-7-8-23-9-13(17)15(19)20/h3-6,10,13,16H,7-9H2,1-2H3,(H,19,20)
InChIKeyGKHWHPKRGLGAHW-UHFFFAOYSA-N
XLogP0.30
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216050
4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216832
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215901
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(4-propan-2-ylsulfinylbenzoyl)morpholine-3-carboxylic acid
CID 119216119
4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid
CID 119215921
4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216622
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52504192

Frequently Asked Questions

What is the IUPAC name of 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (CID 119216337) is 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1.
What is the InChIKey of 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is GKHWHPKRGLGAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-10(2)16-24(21,22)12-5-3-11(4-6-12)14(18)17-7-8-23-9-13(17)15(19)20/h3-6,10,13,16H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 356.40 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).