| CAS Number | 103628-44-0 |
| Catalog Number | AG008W2F(AGN-PC-00FZ73) |
| Chemical Name | GR 49336 |
| IUPAC Name | 2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]acetic acid |
| InChI | InChI=1S/C12H14N2O4S/c1-13-19(17,18)7-8-2-3-11-10(4-8)9(6-14-11)5-12(15)16/h2-4,6,13-14H,5,7H2,1H3,(H,15,16) |
| InChI Key | HFYQCRQPYYPRAT-UHFFFAOYSA-N |
| MDL Number | MFCD09833103 |
| Molecular Formula | C12H14N2O4S |
| Molecular Weight | 282.3156 |
| SMILES | CNS(=O)(=O)Cc1ccc2[nH]cc(CC(=O)O)c2c1 |
| Synonyms | GR 49336,
103628-44-0,
1H-Indole-3-aceticacid, 5-[[(methylamino)sulfonyl]methyl]-,
ACMC-20ek9d,
SCHEMBL9765109,
CHEMBL3544580,
CTK0I0457,
DTXSID40472429,
ZINC22009124,
AKOS030254564,
GR-49336,
RT-013117,
FT-0669057,
J-001013,
5-[[(Methylamino)sulfonyl]methyl]-1H-indole-3-acetic Acid,
HFYQCRQPYYPRAT-UHFFFAOYSA-N,
CID11778526,
2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]acetic Acid,
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| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.314g/mol |
| Monoisotopic Mass | 282.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 108A^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