| CAS Number | 901872-64-8 |
| Catalog Number | AG00IG1I(AGN-PC-0WQZS5) |
| Chemical Name | N-[(4-Methoxyphenyl)methyl]-1H-imidazole-4-sulfonamide |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-1H-imidazole-5-sulfonamide |
| InChI | InChI=1S/C11H13N3O3S/c1-17-10-4-2-9(3-5-10)6-14-18(15,16)11-7-12-8-13-11/h2-5,7-8,14H,6H2,1H3,(H,12,13) |
| InChI Key | FRTKLFOZGDPRHE-UHFFFAOYSA-N |
| MDL Number | MFCD14759773 |
| Molecular Formula | C11H13N3O3S |
| Molecular Weight | 267.3042 |
| SMILES | COc1ccc(cc1)CNS(=O)(=O)c1cnc[nH]1 |
| Synonyms | 901872-64-8,
N-(4-Methoxybenzyl)-1H-imidazole-4-sulfonamide,
N-[(4-Methoxyphenyl)methyl]-1H-imidazole-4-sulfonamide,
ZINC4929582,
AKOS001839819,
CCG-131701,
MCULE-9636343779,
SR-01000127861,
SR-01000127861-1,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.303g/mol |
| Monoisotopic Mass | 267.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number