| CAS Number | 52320-62-4 |
| Catalog Number | AG00DHCX(AGN-PC-035SSV) |
| Chemical Name | 3-(cyanomethyl)benzenesulfonamide |
| IUPAC Name | 3-(cyanomethyl)benzenesulfonamide |
| InChI | InChI=1S/C8H8N2O2S/c9-5-4-7-2-1-3-8(6-7)13(10,11)12/h1-3,6H,4H2,(H2,10,11,12) |
| InChI Key | UMHPWOVPACYGPY-UHFFFAOYSA-N |
| MDL Number | MFCD18825599 |
| Molecular Formula | C8H8N2O2S |
| Molecular Weight | 196.2263 |
| SMILES | NS(C1=CC(CC#N)=CC=C1)(=O)=O |
| Synonyms | 3-(cyanomethyl)benzenesulfonamide,
52320-62-4,
Benzenesulfonamide, 3-(cyanomethyl)- (9CI),
SCHEMBL5633878,
CTK4J5751,
DTXSID50610739,
MFCD18825599,
ZINC39054608,
3-(Cyanomethyl)benzene-1-sulfonamide,
AKOS017413547,
AS-37404,
BENZENESULFONAMIDE, 3-(CYANOMETHYL)-,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.224g/mol |
| Monoisotopic Mass | 196.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.3A^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