| CAS Number | 726151-75-3 |
| Catalog Number | AG00ICAD(AGN-PC-0WBQFA) |
| Chemical Name | 2-Amino-4-(pyrrolidine-1-sulfonyl)-phenol |
| IUPAC Name | 2-amino-4-pyrrolidin-1-ylsulfonylphenol |
| InChI | InChI=1S/C10H14N2O3S/c11-9-7-8(3-4-10(9)13)16(14,15)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6,11H2 |
| InChI Key | BUWCJYVBLURXKW-UHFFFAOYSA-N |
| MDL Number | MFCD03964564 |
| Molecular Formula | C10H14N2O3S |
| Molecular Weight | 242.2948 |
| SMILES | NC1=C(O)C=CC(S(N2CCCC2)(=O)=O)=C1 |
| Synonyms | 2-amino-4-(pyrrolidine-1-sulfonyl)phenol,
726151-75-3,
2-Amino-4-(pyrrolidine-1-sulfonyl)-phenol,
2-Amino-4-(pyrrolidin-1-ylsulfonyl)phenol,
SCHEMBL4894531,
CTK7J9563,
BUWCJYVBLURXKW-UHFFFAOYSA-N,
ZINC3886137,
AKOS008966829,
MCULE-2821967014,
NE22454,
EN300-04747,
SR-01000039464,
SR-01000039464-1,
Z56886317,
F8889-9354,
AC1N87RC,
AC1Q51HM,
CID4339533,
2-amino-4-pyrrolidin-1-ylsulfonylphenol,
2-amino-4-pyrrolidin-1-ylsulfonyl-phenol,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.072513g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.3g/mol |
| Monoisotopic Mass | 242.072513g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number