2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid

C13H18N2O5S — CID 83004105

IUPAC2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
SMILESCCc1ccc(S(=O)(=O)NN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C13H18N2O5S/c1-2-10-3-4-11(9-12(10)13(16)17)21(18,19)14-15-5-7-20-8-6-15/h3-4,9,14H,2,5-8H2,1H3,(H,16,17)
InChIKeyXPQNCJMRXSCYER-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.47
Rot. Bonds5

About 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid

2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid (PubChem CID 83004105) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
PubChem CID83004105
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
SMILESCCc1ccc(S(=O)(=O)NN2CCOCC2)cc1C(=O)O
InChIInChI=1S/C13H18N2O5S/c1-2-10-3-4-11(9-12(10)13(16)17)21(18,19)14-15-5-7-20-8-6-15/h3-4,9,14H,2,5-8H2,1H3,(H,16,17)
InChIKeyXPQNCJMRXSCYER-UHFFFAOYSA-N
XLogP0.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 106919541
4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075759
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
5-chlorosulfonyl-2-ethylbenzoic acid
CID 55280877
2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
CID 99981682
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99982592
2-ethyl-5-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 136581701
5-(but-3-enylsulfamoyl)-2-ethylbenzoic acid
CID 113465369
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005779
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid (CID 83004105) is 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid is CCc1ccc(S(=O)(=O)NN2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid?
The InChIKey is XPQNCJMRXSCYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-2-10-3-4-11(9-12(10)13(16)17)21(18,19)14-15-5-7-20-8-6-15/h3-4,9,14H,2,5-8H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid?
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 83004105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).