| CAS Number | 189063-54-5 |
| Catalog Number | AG01C2LY(AGN-PC-0O5W2F) |
| Chemical Name | 4-(2H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide |
| IUPAC Name | 4-(2H-tetrazol-5-yl)benzenesulfonamide |
| InChI | InChI=1S/C7H7N5O2S/c8-15(13,14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H2,8,13,14)(H,9,10,11,12) |
| InChI Key | ANMFCTUVVZJPQL-UHFFFAOYSA-N |
| MDL Number | MFCD04035671 |
| Molecular Formula | C7H7N5O2S |
| Molecular Weight | 225.2278 |
| SMILES | NS(C1=CC=C(C2=NNN=N2)C=C1)(=O)=O |
| Synonyms | 189063-54-5,
4-(2H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide,
4-(2H-tetrazol-5-yl)benzenesulfonamide,
SCHEMBL4108165,
ANMFCTUVVZJPQL-UHFFFAOYSA-N,
ZINC2523086,
4-(5-tetrazolyl) benzenesulfonamide,
AKOS030753528,
Z1000754,
4-(1H-1,2,3,4-tetrazol-5-yl)benzene-1-sulfonamide,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.226g/mol |
| Monoisotopic Mass | 225.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number