| CAS Number | 794573-84-5 |
| Catalog Number | AG019OYF |
| Chemical Name | 4-Chloro-3-{[(4-sulfamoylphenyl)methyl]sulfamoyl}benzoic acid |
| IUPAC Name | 4-chloro-3-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H13ClN2O6S2/c15-12-6-3-10(14(18)19)7-13(12)25(22,23)17-8-9-1-4-11(5-2-9)24(16,20)21/h1-7,17H,8H2,(H,18,19)(H2,16,20,21) |
| InChI Key | VFBBWVHYYRJPCK-UHFFFAOYSA-N |
| MDL Number | MFCD06367429 |
| Molecular Formula | C14H13ClN2O6S2 |
| Molecular Weight | 404.8458 |
| SMILES | NS(C1=CC=C(CNS(C2=C(Cl)C=CC(C(O)=O)=C2)(=O)=O)C=C1)(=O)=O |
| Synonyms | 4-chloro-3-{[(4-sulfamoylphenyl)methyl]sulfamoyl}benzoic acid,
794573-84-5,
AC1M7F2A,
AC1Q55BR,
MLS000409297,
SCHEMBL6550922,
CHEMBL1387163,
CTK6H1304,
4-chloro-3-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic Acid,
HMS2598K07,
ZINC3325315,
AKOS034436328,
MCULE-2056892889,
NE18480,
SMR000243645,
EN300-16092,
Z53039930,
CID2440888,
4-chloro-3-([(4-sulfamoylphenyl)methyl]sulfamoyl)benzoic acid,
|
| Complexity | 677 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.836g/mol |
| Monoisotopic Mass | 403.99g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number