4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

C17H18N2O7S — CID 119216622

IUPAC4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H18N2O7S/c20-16(19-7-9-25-11-15(19)17(21)22)12-3-5-14(6-4-12)27(23,24)18-10-13-2-1-8-26-13/h1-6,8,15,18H,7,9-11H2,(H,21,22)
InChIKeyXSQWEOVHDZLOQM-UHFFFAOYSA-N
MW394.41 g/mol
LogP0.68
Rot. Bonds6

About 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119216622) has the molecular formula C17H18N2O7S and a molecular weight of 394.41 g/mol. Its IUPAC name is 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID119216622
Molecular FormulaC17H18N2O7S
Molecular Weight394.41 g/mol
Exact Mass394.08
IUPAC Name4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H18N2O7S/c20-16(19-7-9-25-11-15(19)17(21)22)12-3-5-14(6-4-12)27(23,24)18-10-13-2-1-8-26-13/h1-6,8,15,18H,7,9-11H2,(H,21,22)
InChIKeyXSQWEOVHDZLOQM-UHFFFAOYSA-N
XLogP0.68
TPSA126.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215901
4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216050
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216832
4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
N,N-diethyl-4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]piperazine-1-carboxamide
CID 38719587
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 40843388
N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24539659
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (CID 119216622) is 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is XSQWEOVHDZLOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O7S/c20-16(19-7-9-25-11-15(19)17(21)22)12-3-5-14(6-4-12)27(23,24)18-10-13-2-1-8-26-13/h1-6,8,15,18H,7,9-11H2,(H,21,22).
What are the key properties of 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 394.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).