| CAS Number | 667901-74-8 |
| Catalog Number | AG00IBMY |
| Chemical Name | 2-(3-(N,N-Dimethylsulfamoyl)benzamido)acetic acid |
| IUPAC Name | 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid |
| InChI | InChI=1S/C11H14N2O5S/c1-13(2)19(17,18)9-5-3-4-8(6-9)11(16)12-7-10(14)15/h3-6H,7H2,1-2H3,(H,12,16)(H,14,15) |
| InChI Key | FMVKPAMZUGITEG-UHFFFAOYSA-N |
| MDL Number | MFCD03838933 |
| Molecular Formula | C11H14N2O5S |
| Molecular Weight | 286.3043 |
| SMILES | CN(S(C1=CC(C(NCC(O)=O)=O)=CC=C1)(=O)=O)C |
| Synonyms | 667901-74-8,
2-{[3-(dimethylsulfamoyl)phenyl]formamido}acetic acid,
({3-[(dimethylamino)sulfonyl]benzoyl}amino)acetic acid,
((3-[(Dimethylamino)sulfonyl]benzoyl)amino)acetic acid,
2-(3-(N,N-Dimethylsulfamoyl)benzamido)acetic acid,
AC1M6WLO,
AC1Q3WYA,
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic Acid,
CTK7J5223,
ZINC3340128,
MFCD03838933,
AKOS001104294,
MCULE-4045719307,
NE43627,
EN300-11626,
SR-01000061518,
SR-01000061518-1,
CID2456563,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.302g/mol |
| Monoisotopic Mass | 286.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number