| CAS Number | 379254-58-7 |
| Catalog Number | AG00C6VF(AGN-PC-0WQYGS) |
| Chemical Name | 2-Chloro-5-(N-(4-fluorophenyl)-N-methylsulfamoyl)benzoic acid |
| IUPAC Name | 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H11ClFNO4S/c1-17(10-4-2-9(16)3-5-10)22(20,21)11-6-7-13(15)12(8-11)14(18)19/h2-8H,1H3,(H,18,19) |
| InChI Key | OQZORFCSUZSIDR-UHFFFAOYSA-N |
| MDL Number | MFCD03147273 |
| Molecular Formula | C14H11ClFNO4S |
| Molecular Weight | 343.7578 |
| SMILES | O=C(O)C1=CC(S(=O)(N(C2=CC=C(F)C=C2)C)=O)=CC=C1Cl |
| Synonyms | 379254-58-7,
2-Chloro-5-[(4-fluoro-phenyl)-methyl-sulfamoyl]-benzoic acid,
2-chloro-5-[(4-fluorophenyl)(methyl)sulfamoyl]benzoic acid,
2-Chloro-5-(N-(4-fluorophenyl)-N-methylsulfamoyl)benzoic acid,
AC1M6E7V,
AC1Q3X3D,
CTK7C0622,
ZINC3281079,
MFCD03147273,
AKOS000115001,
MCULE-3407995808,
NE31430,
EN300-00515,
J-508808,
Z56862379,
2-chloro-5-[(4-fluorophenyl)methylsulfamoyl]benzoic acid,
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid,
CID2396536,
2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzoic Acid,
|
| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.753g/mol |
| Monoisotopic Mass | 343.008g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number