| CAS Number | 895691-70-0 |
| Catalog Number | AG019K79 |
| Chemical Name | 3-chloro-N-[4-(pyrrolidine-1-sulfonyl)phenyl]propanamide |
| IUPAC Name | 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide |
| InChI | InChI=1S/C13H17ClN2O3S/c14-8-7-13(17)15-11-3-5-12(6-4-11)20(18,19)16-9-1-2-10-16/h3-6H,1-2,7-10H2,(H,15,17) |
| InChI Key | PANCLZZPEVUWRC-UHFFFAOYSA-N |
| MDL Number | MFCD08079208 |
| Molecular Formula | C13H17ClN2O3S |
| Molecular Weight | 316.8037 |
| SMILES | ClCCC(NC1=CC=C(S(N2CCCC2)(=O)=O)C=C1)=O |
| Synonyms | 3-chloro-N-[4-(pyrrolidine-1-sulfonyl)phenyl]propanamide,
3-chloro-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]propanamide,
895691-70-0,
AC1Q3UG1,
CTK6H7329,
ZINC21308641,
AKOS008082401,
MCULE-8307952566,
NE20474,
EN300-25825,
Z394693548,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.8g/mol |
| Monoisotopic Mass | 316.065g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number