| CAS Number | 743452-18-8 |
| Catalog Number | AG019JCD |
| Chemical Name | 2-(3-Cyanobenzenesulfonamido)acetic acid |
| IUPAC Name | 2-[(3-cyanophenyl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C9H8N2O4S/c10-5-7-2-1-3-8(4-7)16(14,15)11-6-9(12)13/h1-4,11H,6H2,(H,12,13) |
| InChI Key | IBTHZKXOXSLPET-UHFFFAOYSA-N |
| MDL Number | MFCD05263741 |
| Molecular Formula | C9H8N2O4S |
| Molecular Weight | 240.2358 |
| SMILES | OC(CNS(C1=CC(C#N)=CC=C1)(=O)=O)=O |
| Synonyms | 2-(3-cyanobenzenesulfonamido)acetic acid,
{[(3-cyanophenyl)sulfonyl]amino}acetic acid,
743452-18-8,
EN300-09083,
AC1MXUA4,
2-[(3-cyanophenyl)sulfonylamino]acetic Acid,
AC1Q762V,
CTK7C8629,
ZINC3887631,
AKOS000117337,
MCULE-9256671378,
NCGC00339464-01,
2-[(3-cyanobenzene)sulfonamido]acetic acid,
AB01332417-02,
Z45658621,
CID3796207,
([(3-cyanophenyl)sulfonyl]amino)acetic acid,
|
| Complexity | 403 |
| 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