| CAS Number | 99362-95-5 |
| Catalog Number | AG019OLJ(AGN-PC-0W9AVW) |
| Chemical Name | methyl 2-(4-aminobenzenesulfonamido)acetate |
| IUPAC Name | methyl 2-[(4-aminophenyl)sulfonylamino]acetate |
| InChI | InChI=1S/C9H12N2O4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6,10H2,1H3 |
| InChI Key | ZOWMDAHNZAIHGK-UHFFFAOYSA-N |
| MDL Number | MFCD07343858 |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.2676 |
| SMILES | COC(CNS(C1=CC=C(N)C=C1)(=O)=O)=O |
| Synonyms | 99362-95-5,
methyl 2-(4-aminobenzenesulfonamido)acetate,
methyl {[(4-aminophenyl)sulfonyl]amino}acetate,
AC1OEVUN,
AC1Q447T,
CTK5I0367,
DTXSID60427693,
ZINC3888875,
AKOS001136636,
MCULE-5264179706,
NE25030,
EN300-14410,
methyl 2-[(4-aminobenzene)sulfonamido]acetate,
methyl 2-[(4-aminophenyl)sulfonylamino]acetate,
METHYL{[(4-AMINOPHENYL)SULFONYL]AMINO}ACETATE,
Z104341268,
ZINC03888875,
CID7064001,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number