| CAS Number | 950114-64-4 |
| Catalog Number | AG019K77 |
| Chemical Name | 3-chloro-N-[3-(pyrrolidine-1-sulfonyl)phenyl]propanamide |
| IUPAC Name | 3-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide |
| InChI | InChI=1S/C13H17ClN2O3S/c14-7-6-13(17)15-11-4-3-5-12(10-11)20(18,19)16-8-1-2-9-16/h3-5,10H,1-2,6-9H2,(H,15,17) |
| InChI Key | CDBWQKDGFNJGDT-UHFFFAOYSA-N |
| MDL Number | MFCD09802032 |
| Molecular Formula | C13H17ClN2O3S |
| Molecular Weight | 316.8037 |
| SMILES | ClCCC(NC1=CC(S(N2CCCC2)(=O)=O)=CC=C1)=O |
| Synonyms | 3-chloro-N-[3-(pyrrolidine-1-sulfonyl)phenyl]propanamide,
950114-64-4,
3-chloro-N-[3-(pyrrolidin-1-ylsulfonyl)phenyl]propanamide,
AC1Q3UFT,
CTK6H7352,
ZINC12505117,
AKOS009102911,
MCULE-3759942965,
NE33493,
UPCMLD0ENAT5988983:001,
EN300-25821,
Z285925594,
|
| Complexity | 429 |
| 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