| CAS Number | 926200-59-1 |
| Catalog Number | AG019ZQB |
| Chemical Name | 3-(4-Fluorobenzenesulfonamido)naphthalene-2-carboxylic acid |
| IUPAC Name | 3-[(4-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid |
| InChI | InChI=1S/C17H12FNO4S/c18-13-5-7-14(8-6-13)24(22,23)19-16-10-12-4-2-1-3-11(12)9-15(16)17(20)21/h1-10,19H,(H,20,21) |
| InChI Key | VOAHLYLBMHCXON-UHFFFAOYSA-N |
| MDL Number | MFCD09043303 |
| Molecular Formula | C17H12FNO4S |
| Molecular Weight | 345.3449 |
| SMILES | OC(C1=C(NS(C2=CC=C(F)C=C2)(=O)=O)C=C2C(C=CC=C2)=C1)=O |
| Synonyms | 3-(4-fluorobenzenesulfonamido)naphthalene-2-carboxylic acid,
926200-59-1,
ZINC13262988,
AKOS002433898,
MCULE-8927693189,
NE60648,
Z45542579,
3-[(4-fluorobenzene)sulfonamido]naphthalene-2-carboxylic acid,
|
| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.344g/mol |
| Monoisotopic Mass | 345.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number