| CAS Number | 54049-92-2 |
| Catalog Number | AG00VT3E(AGN-PC-02U2FA) |
| Chemical Name | 4-Formyl-N,N-dimethylbenzenesulfonamide |
| IUPAC Name | 4-formyl-N,N-dimethylbenzenesulfonamide |
| InChI | InChI=1S/C9H11NO3S/c1-10(2)14(12,13)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 |
| InChI Key | OENABLBTFNNIDC-UHFFFAOYSA-N |
| MDL Number | MFCD09817632 |
| Molecular Formula | C9H11NO3S |
| Molecular Weight | 213.2535 |
| SMILES | CN(S(C1=CC=C(C=O)C=C1)(=O)=O)C |
| Synonyms | 4-Formyl-N,N-dimethylbenzenesulfonamide,
54049-92-2,
SCHEMBL847553,
OENABLBTFNNIDC-UHFFFAOYSA-N,
ZINC36056277,
AKOS025312627,
4-formyl-n,n-dimethyl-benzenesulfonamide,
NS-02425,
4-formyl-N,N-dimethylbenzene-1-sulfonamide,
Benzenesulfonamide, 4-formyl-N,N-dimethyl-,
F1904-0059,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.251g/mol |
| Monoisotopic Mass | 213.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number