| CAS Number | 748776-34-3 |
| Catalog Number | AG019GOL |
| Chemical Name | 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid |
| IUPAC Name | 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid |
| InChI | InChI=1S/C16H17NO5S/c1-17(11-12-6-4-3-5-7-12)23(20,21)15-10-13(16(18)19)8-9-14(15)22-2/h3-10H,11H2,1-2H3,(H,18,19) |
| InChI Key | XXWAFHJMVVRVLT-UHFFFAOYSA-N |
| MDL Number | MFCD03653045 |
| Molecular Formula | C16H17NO5S |
| Molecular Weight | 335.3749 |
| SMILES | COC1=C(S(N(CC2=CC=CC=C2)C)(=O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoic acid,
3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoic Acid,
748776-34-3,
AC1M5CGA,
AC1Q44T6,
CTK7A7471,
ZINC3259168,
AKOS000114911,
MCULE-5913545291,
NE37392,
EN300-00658,
CID2375915,
|
| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.374g/mol |
| Monoisotopic Mass | 335.083g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number