| CAS Number | 736948-74-6 |
| Catalog Number | AG00ICFC(AGN-PC-0KG2ST) |
| Chemical Name | 4-acetyl-N-[(furan-2-yl)methyl]benzene-1-sulfonamide |
| IUPAC Name | 4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide |
| InChI | InChI=1S/C13H13NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h2-8,14H,9H2,1H3 |
| InChI Key | IXVMRHFCCUTRAI-UHFFFAOYSA-N |
| MDL Number | MFCD04638742 |
| Molecular Formula | C13H13NO4S |
| Molecular Weight | 279.3116 |
| SMILES | CC(C1=CC=C(S(NCC2OC=CC=2)(=O)=O)C=C1)=O |
| Synonyms | 4-acetyl-N-(2-furylmethyl)benzenesulfonamide,
736948-74-6,
4-acetyl-N-(furan-2-ylmethyl)benzene-1-sulfonamide,
4-acetyl-N-(furan-2-ylmethyl)benzenesulfonamide,
AC1Q1JPW,
AC1M7A5N,
SCHEMBL19334380,
CTK5J9671,
ZINC3298498,
MFCD04638742,
AKOS001060117,
MCULE-1884415088,
NE12985,
EN300-08725,
SR-01000049671,
SR-01000049671-1,
ZINC03298498,
CID2414071,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.31g/mol |
| Monoisotopic Mass | 279.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number