2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid

C14H20N2O5S — CID 99981682

IUPAC2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
SMILESCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O5S/c1-2-5-15-22(19,20)11-3-4-13(12(10-11)14(17)18)16-6-8-21-9-7-16/h3-4,10,15H,2,5-9H2,1H3,(H,17,18)
InChIKeyPNDABMLVUABSFI-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.91
Rot. Bonds6

About 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid

2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid (PubChem CID 99981682) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
PubChem CID99981682
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
SMILESCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O5S/c1-2-5-15-22(19,20)11-3-4-13(12(10-11)14(17)18)16-6-8-21-9-7-16/h3-4,10,15H,2,5-9H2,1H3,(H,17,18)
InChIKeyPNDABMLVUABSFI-UHFFFAOYSA-N
XLogP0.91
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99985967
5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99982592
5-(3-methylbutylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
CID 99986428
5-(3-ethoxypropylsulfamoyl)-2-piperidin-1-ylbenzoic acid
CID 99985963
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
5-propylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
CID 59793636
5-amino-2-morpholin-4-yl-N-propylbenzamide
CID 100651619
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
2-[[(2S)-butan-2-yl]amino]-5-(propylsulfamoyl)benzoic acid
CID 99981585
2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15992072

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid?
The IUPAC name of 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid (CID 99981682) is 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid?
The canonical SMILES for 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid is CCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid?
The InChIKey is PNDABMLVUABSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-2-5-15-22(19,20)11-3-4-13(12(10-11)14(17)18)16-6-8-21-9-7-16/h3-4,10,15H,2,5-9H2,1H3,(H,17,18).
What are the key properties of 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid?
2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid has a molecular weight of 328.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid is sourced from PubChem (CID 99981682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).