| CAS Number | 1572510-42-9 |
| Catalog Number | AG01EOSH(AGN-PC-3H46II) |
| Chemical Name | JNJ-632 |
| IUPAC Name | N-(4-fluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide |
| InChI | InChI=1S/C18H19FN2O4S/c1-12-9-14(5-6-17(12)19)20-18(22)13-3-2-4-16(10-13)26(23,24)21-15-7-8-25-11-15/h2-6,9-10,15,21H,7-8,11H2,1H3,(H,20,22)/t15-/m0/s1 |
| InChI Key | JIZGLOVJKCSHTH-HNNXBMFYSA-N |
| MDL Number | MFCD31692402 |
| Molecular Formula | C18H19FN2O4S |
| Molecular Weight | 378.4179 |
| SMILES | O=C(NC1=CC(C)=C(F)C=C1)C2=CC=CC(S(=O)(N[C@@H]3COCC3)=O)=C2 |
| Synonyms | JNJ-632,
JNJ-632,
1572510-42-9,
SCHEMBL17115697,
EX-A1978,
HY-112564,
CS-0046637,
(S)-N-(4-fluoro-3-methylphenyl)-3-(N-(tetrahydrofuran-3-yl)sulfamoyl)benzamide,
ACN-055563,
|
| Complexity | 595 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.418g/mol |
| Monoisotopic Mass | 378.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number