| CAS Number | 1016813-13-0 |
| Catalog Number | AG019VYI |
| Chemical Name | 3-cyano-N-[3-(dimethylamino)propyl]benzene-1-sulfonamide |
| IUPAC Name | 3-cyano-N-[3-(dimethylamino)propyl]benzenesulfonamide |
| InChI | InChI=1S/C12H17N3O2S/c1-15(2)8-4-7-14-18(16,17)12-6-3-5-11(9-12)10-13/h3,5-6,9,14H,4,7-8H2,1-2H3 |
| InChI Key | AMTPNDQQJZFBDT-UHFFFAOYSA-N |
| MDL Number | MFCD09943317 |
| Molecular Formula | C12H17N3O2S |
| Molecular Weight | 267.3473 |
| SMILES | CN(CCCNS(C1=CC(C#N)=CC=C1)(=O)=O)C |
| Synonyms | 3-cyano-N-[3-(dimethylamino)propyl]benzene-1-sulfonamide,
1016813-13-0,
EN300-49875,
AC1P8BOL,
AC1Q3WRX,
CTK7C8630,
ZINC7374569,
AKOS000187002,
MCULE-8327021447,
NE39743,
SEL10402410,
3-cyano-N-[3-(dimethylamino)propyl]benzenesulfonamide,
Z45528063,
CID8468190,
3-cyano-N-(3-dimethylaminopropyl)benzenesulfonamide,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.347g/mol |
| Monoisotopic Mass | 267.104g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number