| CAS Number | 214841-99-3 |
| Catalog Number | AG00I45T |
| Chemical Name | 2-(4-Cyanobenzenesulfonamido)acetic acid |
| IUPAC Name | 2-[(4-cyanophenyl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C9H8N2O4S/c10-5-7-1-3-8(4-2-7)16(14,15)11-6-9(12)13/h1-4,11H,6H2,(H,12,13) |
| InChI Key | FDHUUEBQWGBPMV-UHFFFAOYSA-N |
| MDL Number | MFCD05262724 |
| Molecular Formula | C9H8N2O4S |
| Molecular Weight | 240.2358 |
| SMILES | OC(CNS(C1=CC=C(C#N)C=C1)(=O)=O)=O |
| Synonyms | 2-(4-cyanobenzenesulfonamido)acetic acid,
214841-99-3,
([(4-Cyanophenyl)sulfonyl]amino)acetic acid,
{[(4-cyanophenyl)sulfonyl]amino}acetic acid,
EN300-09056,
AC1M1WPT,
2-[(4-cyanophenyl)sulfonylamino]acetic Acid,
CTK7C8169,
AC1Q7632,
ZINC2643710,
MFCD05262724,
AKOS000117336,
2-[(4-cyanobenzene)sulfonamido]acetic acid,
Z45658622,
CID2106567,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.233g/mol |
| Monoisotopic Mass | 240.02g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number