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

C15H22N2O5S — CID 2577517

IUPAC5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O5S/c1-3-17(4-2)23(20,21)12-5-6-14(13(11-12)15(18)19)16-7-9-22-10-8-16/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyVUCMZJWEELKWJY-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.25
Rot. Bonds6

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

5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid (PubChem CID 2577517) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
PubChem CID2577517
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O5S/c1-3-17(4-2)23(20,21)12-5-6-14(13(11-12)15(18)19)16-7-9-22-10-8-16/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyVUCMZJWEELKWJY-UHFFFAOYSA-N
XLogP1.25
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.25
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-(Dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2512653
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
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-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid (CID 2577517) is 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
The InChIKey is VUCMZJWEELKWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-17(4-2)23(20,21)12-5-6-14(13(11-12)15(18)19)16-7-9-22-10-8-16/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid?
5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid has a molecular weight of 342.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 2577517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).