| CAS Number | 560995-29-1 |
| Catalog Number | AG00IA0G |
| Chemical Name | 4-Chloro-3-(piperidine-1-sulfonyl)aniline |
| IUPAC Name | 4-chloro-3-piperidin-1-ylsulfonylaniline |
| InChI | InChI=1S/C11H15ClN2O2S/c12-10-5-4-9(13)8-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2 |
| InChI Key | DJKWMDKTRGWWHI-UHFFFAOYSA-N |
| MDL Number | MFCD04606942 |
| Molecular Formula | C11H15ClN2O2S |
| Molecular Weight | 274.7670 |
| SMILES | NC1=CC(S(N2CCCCC2)(=O)=O)=C(Cl)C=C1 |
| Synonyms | 4-chloro-3-(piperidine-1-sulfonyl)aniline,
560995-29-1,
4-chloro-3-(piperidin-1-ylsulfonyl)aniline,
AC1NMV7Y,
AC1Q51D6,
CTK6H1296,
ZINC3887423,
MFCD04606942,
AKOS008966933,
MCULE-8083625387,
NE24615,
4-chloro-3-piperidin-1-ylsulfonylaniline,
EN300-08585,
Z56924494,
ZINC03887423,
CID5016598,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.763g/mol |
| Monoisotopic Mass | 274.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number