| CAS Number | 1393813-42-7 |
| Catalog Number | AG001AW9(AGN-PC-0WCRIZ) |
| Chemical Name | SulfaMide, N-[5-(4-broMophenyl)-6-chloro-4-pyriMidinyl]-N'-propyl- |
| IUPAC Name | 5-(4-bromophenyl)-6-chloro-N-(propylsulfamoyl)pyrimidin-4-amine |
| InChI | InChI=1S/C13H14BrClN4O2S/c1-2-7-18-22(20,21)19-13-11(12(15)16-8-17-13)9-3-5-10(14)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,16,17,19) |
| InChI Key | MUPKRWAGQKVNPA-UHFFFAOYSA-N |
| MDL Number | MFCD25372049 |
| Molecular Formula | C13H14BrClN4O2S |
| Molecular Weight | 405.6979 |
| SMILES | O=S(NCCC)(NC1=NC=NC(Cl)=C1C2=CC=C(Br)C=C2)=O |
| Synonyms | 1393813-42-7,
N-(5-(4-bromophenyl)-6-chloropyrimidin-4-yl)propane-1-sulfamide,
N-[5-(4-Bromophenyl)-6-chloro-4-pyrimidinyl]-N'-propylsulfamide,
Sulfamide, N-[5-(4-bromophenyl)-6-chloro-4-pyrimidinyl]-N'-propyl-,
N-[5-(4-bromophenyl)-6-chloro-4-pyrimidinyl]-N'-propyl-sulfamide,
MUPKRWAGQKVNPA-UHFFFAOYSA-N,
SCHEMBL16371661,
BCP09332,
CS-M1492,
ZINC206201818,
CS-13283,
DA-45400,
FT-0752080,
N-[5-(4-broMophenyl)-6-chloro-4-pyriMidinyl]-N'-propyl-,
N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-N'-propylsulfamide,
SulfaMide,N-[5-(4-broMophenyl)-6-chloro-4-pyriMidinyl]-N'-propyl-,
ACN-036801,
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| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.695g/mol |
| Monoisotopic Mass | 403.971g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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