| CAS Number | 733031-16-8 |
| Catalog Number | AG00ICDX(AGN-PC-0WQYEN) |
| Chemical Name | 3-{[(pyridin-3-yl)methyl]sulfamoyl}benzoic acid |
| IUPAC Name | 3-(pyridin-3-ylmethylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C13H12N2O4S/c16-13(17)11-4-1-5-12(7-11)20(18,19)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17) |
| InChI Key | NWCVQSMJDGOZBY-UHFFFAOYSA-N |
| MDL Number | MFCD04635926 |
| Molecular Formula | C13H12N2O4S |
| Molecular Weight | 292.3104 |
| SMILES | OC(C1=CC(S(NCC2=CN=CC=C2)(=O)=O)=CC=C1)=O |
| Synonyms | 733031-16-8,
3-[(pyridin-3-ylmethyl)sulfamoyl]benzoic acid,
3-{[(pyridin-3-ylmethyl)amino]sulfonyl}benzoic acid,
3-([(Pyridin-3-ylmethyl)amino]sulfonyl)benzoic acid,
3-(pyridin-3-ylmethylsulfamoyl)benzoic Acid,
AC1M6OG2,
AC1Q72UC,
3-[[(3-pyridinylmethyl)amino]sulfonyl]Benzoic acid,
CTK7I8786,
ZINC3336142,
MFCD04635926,
AKOS001059062,
MCULE-6761445035,
NE33781,
FT-0722321,
EN300-07878,
CID2452319,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.309g/mol |
| Monoisotopic Mass | 292.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number