| CAS Number | 380432-25-7 |
| Catalog Number | AG00C6P4 |
| Chemical Name | 2-Chloro-5-(N-(4-methoxyphenyl)-N-methylsulfamoyl)benzoic acid |
| IUPAC Name | 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid |
| InChI | InChI=1S/C15H14ClNO5S/c1-17(10-3-5-11(22-2)6-4-10)23(20,21)12-7-8-14(16)13(9-12)15(18)19/h3-9H,1-2H3,(H,18,19) |
| InChI Key | APWASPNYSYXNHS-UHFFFAOYSA-N |
| MDL Number | MFCD03150783 |
| Molecular Formula | C15H14ClNO5S |
| Molecular Weight | 355.7934 |
| SMILES | O=C(O)C1=CC(S(=O)(N(C2=CC=C(OC)C=C2)C)=O)=CC=C1Cl |
| Synonyms | 380432-25-7,
2-Chloro-5-[(4-methoxy-phenyl)-methyl-sulfamoyl]-benzoic acid,
2-chloro-5-[(4-methoxyphenyl)(methyl)sulfamoyl]benzoic acid,
2-Chloro-5-(N-(4-methoxyphenyl)-N-methylsulfamoyl)benzoic acid,
AC1Q4AZL,
AC1M65F8,
CTK7A4258,
ZINC3223894,
AKOS000115002,
MCULE-4195672840,
NE30260,
EN300-00536,
J-508809,
Z56827055,
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid,
2-chloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid,
CID2342177,
2-chloro-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoic Acid,
|
| Complexity | 513 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.789g/mol |
| Monoisotopic Mass | 355.028g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number