| CAS Number | 521314-04-5 |
| Catalog Number | AG01ABLD(AGN-PC-04FTZZ) |
| Chemical Name | 2-[4-(Ethylsulfamoyl)phenyl]acetic acid |
| IUPAC Name | 2-[4-(ethylsulfamoyl)phenyl]acetic acid |
| InChI | InChI=1S/C10H13NO4S/c1-2-11-16(14,15)9-5-3-8(4-6-9)7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13) |
| InChI Key | KDYKFOKXVGDAEN-UHFFFAOYSA-N |
| MDL Number | MFCD09897724 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CCNS(C1=CC=C(CC(O)=O)C=C1)(=O)=O |
| Synonyms | 2-[4-(ethylsulfamoyl)phenyl]acetic acid,
521314-04-5,
SCHEMBL166809,
KDYKFOKXVGDAEN-UHFFFAOYSA-N,
ZINC11731526,
(4-Ethylsulfamoyl-phenyl)-acetic acid,
AKOS009484851,
MCULE-4076913197,
NE28790,
Benzeneacetic acid, 4-[(ethylamino)sulfonyl]-,
Z1815157406,
2-(4-(N-ethylsulfamoyl)phenyl)acetic acid,
|
| Complexity | 325 |
| 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 | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number