5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid

C15H22N2O5S — CID 99982592

IUPAC5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O5S/c1-15(2,3)16-23(20,21)11-4-5-13(12(10-11)14(18)19)17-6-8-22-9-7-17/h4-5,10,16H,6-9H2,1-3H3,(H,18,19)
InChIKeyCPYZVQJQENPQRK-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.30
Rot. Bonds4

About 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid

5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid (PubChem CID 99982592) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
PubChem CID99982592
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O5S/c1-15(2,3)16-23(20,21)11-4-5-13(12(10-11)14(18)19)17-6-8-22-9-7-17/h4-5,10,16H,6-9H2,1-3H3,(H,18,19)
InChIKeyCPYZVQJQENPQRK-UHFFFAOYSA-N
XLogP1.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
CID 99981682
5-(3-ethoxypropylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99985967
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53005009
2-piperidin-1-yl-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981819
2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid
CID 46292237
N-(2-methyl-2-phenylpropyl)-2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzamide
CID 55612850
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-N-methyl-4-morpholin-4-ylbenzenesulfonamide
CID 11421212
4-(azetidin-1-yl)-N-tert-butyl-3-nitrobenzenesulfonamide
CID 17491207

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid (CID 99982592) is 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid is CC(C)(C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The InChIKey is CPYZVQJQENPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-15(2,3)16-23(20,21)11-4-5-13(12(10-11)14(18)19)17-6-8-22-9-7-17/h4-5,10,16H,6-9H2,1-3H3,(H,18,19).
What are the key properties of 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid has a molecular weight of 342.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 99982592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).