| CAS Number | 729578-96-5 |
| Catalog Number | AG00FC7H |
| Chemical Name | 2-{[4-(diethylsulfamoyl)phenyl]formamido}acetic acid |
| IUPAC Name | 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid |
| InChI | InChI=1S/C13H18N2O5S/c1-3-15(4-2)21(19,20)11-7-5-10(6-8-11)13(18)14-9-12(16)17/h5-8H,3-4,9H2,1-2H3,(H,14,18)(H,16,17) |
| InChI Key | XNAAZUFOJHYJSL-UHFFFAOYSA-N |
| MDL Number | MFCD03970396 |
| Molecular Formula | C13H18N2O5S |
| Molecular Weight | 314.3574 |
| SMILES | O=C(O)CNC(C1=CC=C(S(=O)(N(CC)CC)=O)C=C1)=O |
| Synonyms | (4-Diethylsulfamoyl-benzoylamino)-acetic acid,
729578-96-5,
2-{[4-(diethylsulfamoyl)phenyl]formamido}acetic acid,
AC1M6SVW,
AC1Q2ZHZ,
2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic Acid,
CTK6E8648,
ZINC3289303,
AKOS000114910,
MCULE-2596095397,
NE17865,
EN300-00641,
2-(4-(N,N-Diethylsulfamoyl)benzamido)acetic acid,
J-501399,
CID2404821,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.356g/mol |
| Monoisotopic Mass | 314.094g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number