| CAS Number | 792953-99-2 |
| Catalog Number | AG00G3V6 |
| Chemical Name | 5-(Ethylsulfamoyl)-2-methylbenzoic acid |
| IUPAC Name | 5-(ethylsulfamoyl)-2-methylbenzoic acid |
| InChI | InChI=1S/C10H13NO4S/c1-3-11-16(14,15)8-5-4-7(2)9(6-8)10(12)13/h4-6,11H,3H2,1-2H3,(H,12,13) |
| InChI Key | SVJBFKVNUXDLJY-UHFFFAOYSA-N |
| MDL Number | MFCD06362462 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | O=C(O)C1=CC(S(=O)(NCC)=O)=CC=C1C |
| Synonyms | 5-[(ethylamino)sulfonyl]-2-methylbenzoic acid,
5-(ethylsulfamoyl)-2-methylbenzoic acid,
792953-99-2,
5-(N-Ethylsulfamoyl)-2-methylbenzoic acid,
AC1M8VW8,
AC1Q31M9,
CTK6F2511,
ZINC3426791,
MFCD06362462,
AKOS008023031,
MCULE-5808886239,
NE13219,
EN300-11236,
SR-01000059678,
J-516591,
SR-01000059678-1,
CID2546177,
5-(ethylsulfamoyl)-2-methyl-benzoic Acid,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.277g/mol |
| Monoisotopic Mass | 243.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number