5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid

C13H18N2O5S — CID 2512653

IUPAC5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O5S/c1-14(2)21(18,19)10-3-4-12(11(9-10)13(16)17)15-5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChIKeyLPWUQSGBMUBVDX-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.47
Rot. Bonds4

About 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid

5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid (PubChem CID 2512653) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
PubChem CID2512653
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O5S/c1-14(2)21(18,19)10-3-4-12(11(9-10)13(16)17)15-5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChIKeyLPWUQSGBMUBVDX-UHFFFAOYSA-N
XLogP0.47
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid
CID 2433199
5-(Piperidine-1-sulfonyl)-2-(pyrrolidin-1-yl)benzoic acid
CID 2565885
Benzoic acid, 2-(ethylamino)-5-sulfo-
CID 67063
2-(3,5-Dimethylpiperidino)-5-[(phenylsulfonyl)amino]benzoic acid
CID 2804709
3-[Butyl(phenyl)sulfamoyl]benzoic acid
CID 2329095
5-(benzenesulfonamido)-2-(2,6-dimethylmorpholin-4-yl)benzoic Acid
CID 2804700
5-{[(2-Carboxyphenyl)amino]sulfonyl}-2-[(3-carboxypropyl)amino]benzoic acid
CID 2255695
2-{[2-Methyl-5-(4-morpholinylsulfonyl)benzoyl]amino}benzoic acid
CID 1251752
5-(Diethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2577517
3-(Ethyl(phenyl)sulfamoyl)benzoic acid
CID 2329208
2-(Morpholin-4-yl)benzoic acid
CID 2776561
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)benzoic acid
CID 4961661

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid (CID 2512653) is 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The InChIKey is LPWUQSGBMUBVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-14(2)21(18,19)10-3-4-12(11(9-10)13(16)17)15-5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 2512653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).