| CAS Number | 210825-31-3 |
| Catalog Number | AG01E3R5 |
| Chemical Name | CP424174 |
| IUPAC Name | 1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylurea |
| InChI | InChI=1S/C22H29ClN2O4S/c1-13(2)18-11-16(23)12-19(14(3)4)20(18)24-21(26)25-30(28,29)17-9-7-8-15(10-17)22(5,6)27/h7-14,27H,1-6H3,(H2,24,25,26) |
| InChI Key | YRSBLSHMKVQWHP-UHFFFAOYSA-N |
| MDL Number | MFCD30537538 |
| Molecular Formula | C22H29ClN2O4S |
| Molecular Weight | 452.9947 |
| SMILES | O=S(C1=CC(C(O)(C)C)=CC=C1)(NC(NC2=C(C(C)C)C=C(Cl)C=C2C(C)C)=O)=O |
| Synonyms | CP 424174,
210825-31-3,
CHEMBL3781583,
YRSBLSHMKVQWHP-UHFFFAOYSA-N,
SCHEMBL6554406,
BDBM50155923,
AKOS030211133,
CP424174,
CP-424174,
CP-424,174, >=98% (HPLC),
1-(4-Chloro-2,6-diisopropyl-phenyl)-3-[3-(1-hydroxy-1-methylethyl)benzenesulfonyl]-urea,
2-[3-[[[(4-Chloro-2,6-diisopropylphenylamino)carbonyl]amino]sulfonyl]phenyl]propan-2-ol,
N-[[[4-Chloro-2,6-bis(1-methylethyl)phenyl]amino]carbonyl]-3-(1-hydroxy-1-methylethyl)benzenesulfonamide,
CID9911728,
1-(4-chloro-2,6-dipropan-2-yl-phenyl)-3-[3-(2-hydroxypropan-2-yl)phenyl]sulfonyl-urea,
|
| Complexity | 672 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.994g/mol |
| Monoisotopic Mass | 452.154g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number