| CAS Number | 877964-15-3 |
| Catalog Number | AG00GUCC |
| Chemical Name | 2-[[(4-Fluorophenyl)sulfonyl](methyl)amino]ethanesulfonyl fluoride |
| IUPAC Name | 2-[(4-fluorophenyl)sulfonyl-methylamino]ethanesulfonyl fluoride |
| InChI | InChI=1S/C9H11F2NO4S2/c1-12(6-7-17(11,13)14)18(15,16)9-4-2-8(10)3-5-9/h2-5H,6-7H2,1H3 |
| InChI Key | QTAVGCCUOCJQIP-UHFFFAOYSA-N |
| MDL Number | MFCD07850235 |
| Molecular Formula | C9H11F2NO4S2 |
| Molecular Weight | 299.3147 |
| SMILES | O=S(CCN(C)S(=O)(C1=CC=C(F)C=C1)=O)(F)=O |
| Synonyms | 877964-15-3,
2-(N-methyl4-fluorobenzenesulfonamido)ethane-1-sulfonyl fluoride,
2-[[(4-fluorophenyl)sulfonyl](methyl)amino]ethanesulfonyl fluoride,
2-(4-Fluoro-N-methylphenylsulfonamido)ethanesulfonyl fluoride,
AC1Q3XIP,
CTK7C1095,
AKOS001210250,
ZINC100563058,
ES-2110,
MCULE-3835745804,
NE20403,
EN300-23952,
J-507623,
Z169511972,
2-[N-methyl(4-fluorobenzene)sulfonamido]ethane-1-sulfonyl fluoride,
Ethanesulfonyl fluoride, 2-[[(4-fluorophenyl)sulfonyl]methylamino],
[[5-(4-Chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid,
|
| Complexity | 458 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.307g/mol |
| Monoisotopic Mass | 299.01g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number