| CAS Number | 379254-80-5 |
| Catalog Number | AG00I7GU |
| Chemical Name | 5-[(4-Ethoxy-phenyl)-methyl-sulfamoyl]-2-methyl-benzoic acid |
| IUPAC Name | 5-[(4-ethoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid |
| InChI | InChI=1S/C17H19NO5S/c1-4-23-14-8-6-13(7-9-14)18(3)24(21,22)15-10-5-12(2)16(11-15)17(19)20/h5-11H,4H2,1-3H3,(H,19,20) |
| InChI Key | NGGJWIGEZAGGJK-UHFFFAOYSA-N |
| MDL Number | MFCD03147296 |
| Molecular Formula | C17H19NO5S |
| Molecular Weight | 349.4015 |
| SMILES | CCOC1=CC=C(N(S(C2=CC(C(O)=O)=C(C)C=C2)(=O)=O)C)C=C1 |
| Synonyms | 379254-80-5,
5-[(4-ethoxyphenyl)(methyl)sulfamoyl]-2-methylbenzoic acid,
5-[(4-Ethoxy-phenyl)-methyl-sulfamoyl]-2-methyl-benzoic acid,
5-(N-(4-Ethoxyphenyl)-N-methylsulfamoyl)-2-methylbenzoic acid,
AC1M5T3X,
AC1Q36HL,
Oprea1_062081,
CTK6G1977,
5-[[(4-ethoxyphenyl)methylamino]sulfonyl]-2-methylBenzoic acid,
ZINC3242738,
MFCD03147296,
AKOS000114730,
MCULE-9175533352,
NE40575,
FT-0728326,
EN300-00417,
Z56843587,
5-[(4-ethoxyphenyl)-methylsulfamoyl]-2-methylbenzoic acid,
CID2360204,
5-[(4-ethoxyphenyl)-methyl-sulfamoyl]-2-methyl-benzoic Acid,
|
| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.401g/mol |
| Monoisotopic Mass | 349.098g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number