| CAS Number | 327091-30-5 |
| Catalog Number | AG00C6WM |
| Chemical Name | 4-(4-Fluoro-3-methyl-benzenesulfonylamino)-benzoic acid |
| IUPAC Name | 4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C14H12FNO4S/c1-9-8-12(6-7-13(9)15)21(19,20)16-11-4-2-10(3-5-11)14(17)18/h2-8,16H,1H3,(H,17,18) |
| InChI Key | IHBQWIIYCBTSFI-UHFFFAOYSA-N |
| MDL Number | MFCD02708128 |
| Molecular Formula | C14H12FNO4S |
| Molecular Weight | 309.3128 |
| SMILES | CC1=CC(=CC=C1F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O |
| Synonyms | 4-(4-Fluoro-3-methyl-benzenesulfonylamino)-benzoic acid,
327091-30-5,
4-(4-fluoro-3-methylphenylsulfonamido)benzoic acid,
4-(4-fluoro-3-methylbenzenesulfonamido)benzoic acid,
AC1NPXE3,
AC1Q2FHL,
Oprea1_753845,
CTK7I8055,
ZINC3884802,
AKOS000115004,
MCULE-5838107615,
NE31030,
ST50808663,
EN300-00464,
J-513503,
4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoic acid,
F3318-0242,
4-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}benzoic acid,
CID5186707,
4-[(4-fluoro-3-methyl-phenyl)sulfonylamino]benzoic Acid,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.311g/mol |
| Monoisotopic Mass | 309.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number