| CAS Number | 731820-88-5 |
| Catalog Number | AG00ICDB |
| Chemical Name | 4-Chloro-3-(pyrrolidin-1-ylsulfonyl)aniline |
| IUPAC Name | 4-chloro-3-pyrrolidin-1-ylsulfonylaniline |
| InChI | InChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)7-10(9)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2 |
| InChI Key | WOKJMOZJZLDIRK-UHFFFAOYSA-N |
| MDL Number | MFCD04628445 |
| Molecular Formula | C10H13ClN2O2S |
| Molecular Weight | 260.7404 |
| SMILES | NC1=CC(S(N2CCCC2)(=O)=O)=C(Cl)C=C1 |
| Synonyms | 4-chloro-3-(pyrrolidine-1-sulfonyl)aniline,
731820-88-5,
4-chloro-3-(pyrrolidin-1-ylsulfonyl)aniline,
AC1MZ0EF,
AC1Q51D5,
CTK6H1295,
ZINC3886918,
MFCD04628445,
AKOS000117819,
MCULE-3260403674,
NE22259,
4-chloro-3-pyrrolidin-1-ylsulfonylaniline,
EN300-07317,
Z56951803,
ZINC03886918,
CID3865079,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.736g/mol |
| Monoisotopic Mass | 260.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number