| CAS Number | 729578-92-1 |
| Catalog Number | AG019GYN |
| Chemical Name | 2-Chloro-N-[3-(pyrrolidine-1-sulfonyl)phenyl]acetamide |
| IUPAC Name | 2-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide |
| InChI | InChI=1S/C12H15ClN2O3S/c13-9-12(16)14-10-4-3-5-11(8-10)19(17,18)15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16) |
| InChI Key | UHIJKXVJEIQICX-UHFFFAOYSA-N |
| MDL Number | MFCD03970384 |
| Molecular Formula | C12H15ClN2O3S |
| Molecular Weight | 302.7771 |
| SMILES | ClCC(NC1=CC(S(N2CCCC2)(=O)=O)=CC=C1)=O |
| Synonyms | 2-chloro-N-[3-(pyrrolidine-1-sulfonyl)phenyl]acetamide,
729578-92-1,
2-Chloro-N-[3-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide,
AC1Q3TKA,
AC1MZ1S1,
CTK6H5603,
ZINC3885289,
AKOS000115730,
MCULE-4491972156,
NE18910,
EN300-01859,
2-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide,
ZINC03885289,
CID3865673,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.773g/mol |
| Monoisotopic Mass | 302.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number