| CAS Number | 794554-68-0 |
| Catalog Number | AG00ID1I(AGN-PC-0WQYDS) |
| Chemical Name | 5-(diethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid |
| IUPAC Name | 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid |
| InChI | 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) |
| InChI Key | VUCMZJWEELKWJY-UHFFFAOYSA-N |
| MDL Number | MFCD06366735 |
| Molecular Formula | C15H22N2O5S |
| Molecular Weight | 342.4106 |
| SMILES | CCN(S(C1=CC(C(O)=O)=C(N2CCOCC2)C=C1)(=O)=O)CC |
| Synonyms | 794554-68-0,
5-[(diethylamino)sulfonyl]-2-morpholin-4-ylbenzoic acid,
5-(diethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid,
MLS000570648,
AC1Q2ZGO,
AC1M96ZW,
CHEMBL1440831,
CTK6E8615,
HMS2319O16,
ZINC3457128,
MFCD06366735,
AKOS034471628,
MCULE-3452149320,
NE39083,
SMR000150503,
EN300-11455,
5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid,
SR-01000060617,
SR-01000060617-1,
Z57046943,
CID2577517,
|
| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.41g/mol |
| Monoisotopic Mass | 342.125g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number