| CAS Number | 1065103-48-1 |
| Catalog Number | AG00HAU3 |
| Chemical Name | Ethyl 3-(chlorosulphonyl)-1,5-diphenyl-2-methylpyrrole-4-carboxylate |
| IUPAC Name | ethyl 4-chlorosulfonyl-5-methyl-1,2-diphenylpyrrole-3-carboxylate |
| InChI | InChI=1S/C20H18ClNO4S/c1-3-26-20(23)17-18(15-10-6-4-7-11-15)22(16-12-8-5-9-13-16)14(2)19(17)27(21,24)25/h4-13H,3H2,1-2H3 |
| InChI Key | XHPUIRDXHSDLGV-UHFFFAOYSA-N |
| MDL Number | MFCD03094596 |
| Molecular Formula | C20H18ClNO4S |
| Molecular Weight | 403.8792 |
| SMILES | CCOC(=O)c1c(c2ccccc2)n(c(c1S(=O)(=O)Cl)C)c1ccccc1 |
| Synonyms | 1065103-48-1,
ETHYL 3-(CHLOROSULPHONYL)-1,5-DIPHENYL-2-METHYLPYRROLE-4-CARBOXYLATE,
ethyl 4-(chlorosulfonyl)-5-methyl-1,2-diphenylpyrrole-3-carboxylate,
Ethyl 3-(chlorosulphonyl)-1,5-diphenyl-2-methylpyrrole-4-carboxylate, tech,
Ethyl 4-(chlorosulphonyl)-1,2-diphenyl-5-methyl-1H-pyrrole-3-carboxylate, tech,
ETHYL 4-(CHLOROSULFONYL)-5-METHYL-1,2-DIPHENYL-1H-PYRROLE-3-CARBOXYLATE,
CTK6F5304,
ZX-AT002992,
MFCD03094596,
OR0140,
ethyl 4-(chlorosulfonyl)-1,2-diphenyl-5-methyl-1H-pyrrole-3-carboxylate,
ZINC100003496,
K-0541,
|
| Complexity | 608 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.877g/mol |
| Monoisotopic Mass | 403.065g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 73.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number