| CAS Number | 732272-32-1 |
| Catalog Number | AG01A7Y6 |
| Chemical Name | 2,4-dichloro-5-{[(pyridin-2-yl)methyl]sulfamoyl}benzoic acid |
| IUPAC Name | 2,4-dichloro-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C13H10Cl2N2O4S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)17-7-8-3-1-2-4-16-8/h1-6,17H,7H2,(H,18,19) |
| InChI Key | XHSGHQFUUHUXGG-UHFFFAOYSA-N |
| MDL Number | MFCD03975555 |
| Molecular Formula | C13H10Cl2N2O4S |
| Molecular Weight | 361.2005 |
| SMILES | OC(C1=C(Cl)C=C(Cl)C(S(NCC2=NC=CC=C2)(=O)=O)=C1)=O |
| Synonyms | 2,4-dichloro-5-[(pyridin-2-ylmethyl)sulfamoyl]benzoic acid,
732272-32-1,
AC1M7OUL,
AC1Q727O,
SCHEMBL6550135,
CTK6G6772,
2,4-dichloro-5-(pyridin-2-ylmethylsulfamoyl)benzoic Acid,
ZINC6275203,
NE12736,
EN300-60174,
SR-01000041742,
SR-01000041742-1,
CID2422547,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.193g/mol |
| Monoisotopic Mass | 359.974g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number