4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

C16H22N2O6S — CID 119216050

IUPAC4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O6S/c1-16(2,3)17-25(22,23)12-6-4-11(5-7-12)14(19)18-8-9-24-10-13(18)15(20)21/h4-7,13,17H,8-10H2,1-3H3,(H,20,21)
InChIKeyPOCVZURRPFGBHA-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.69
Rot. Bonds4

About 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119216050) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID119216050
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O6S/c1-16(2,3)17-25(22,23)12-6-4-11(5-7-12)14(19)18-8-9-24-10-13(18)15(20)21/h4-7,13,17H,8-10H2,1-3H3,(H,20,21)
InChIKeyPOCVZURRPFGBHA-UHFFFAOYSA-N
XLogP0.69
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
(2S)-1-[4-(tert-butylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119364995
4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216832
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215901
4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216622
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
4-(4-propan-2-ylsulfinylbenzoyl)morpholine-3-carboxylic acid
CID 119216119
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507

Frequently Asked Questions

What is the IUPAC name of 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (CID 119216050) is 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1.
What is the InChIKey of 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is POCVZURRPFGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-16(2,3)17-25(22,23)12-6-4-11(5-7-12)14(19)18-8-9-24-10-13(18)15(20)21/h4-7,13,17H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).