| CAS Number | 1443980-35-5 |
| Catalog Number | AG01A4ET |
| Chemical Name | 2-(1H-Imidazol-1-ylmethyl)benzene-1-sulfonamide |
| IUPAC Name | 2-(imidazol-1-ylmethyl)benzenesulfonamide |
| InChI | InChI=1S/C10H11N3O2S/c11-16(14,15)10-4-2-1-3-9(10)7-13-6-5-12-8-13/h1-6,8H,7H2,(H2,11,14,15) |
| InChI Key | DCUOUQMADVUCOG-UHFFFAOYSA-N |
| MDL Number | MFCD24842758 |
| Molecular Formula | C10H11N3O2S |
| Molecular Weight | 237.2782 |
| SMILES | O=S(C1=CC=CC=C1CN2C=CN=C2)(N)=O |
| Synonyms | 2-(1H-imidazol-1-ylmethyl)benzene-1-sulfonamide,
1443980-35-5,
ZINC95347527,
AKOS033494223,
MCULE-5488136088,
NE57812,
2-[(1H-imidazol-1-yl)methyl]benzene-1-sulfonamide,
Z1642389912,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.277g/mol |
| Monoisotopic Mass | 237.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number