| CAS Number | 929973-96-6 |
| Catalog Number | AG019PIL |
| Chemical Name | 1-(Chloroacetyl)-2-methylindoline-5-sulfonamide |
| IUPAC Name | 1-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-5-sulfonamide |
| InChI | InChI=1S/C11H13ClN2O3S/c1-7-4-8-5-9(18(13,16)17)2-3-10(8)14(7)11(15)6-12/h2-3,5,7H,4,6H2,1H3,(H2,13,16,17) |
| InChI Key | WDGHRRHYJWPHAQ-UHFFFAOYSA-N |
| MDL Number | MFCD09040375 |
| Molecular Formula | C11H13ClN2O3S |
| Molecular Weight | 288.7505 |
| SMILES | CC1N(C(CCl)=O)C2=C(C=C(S(N)(=O)=O)C=C2)C1 |
| Synonyms | 1-(2-chloroacetyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide,
929973-96-6,
1-(chloroacetyl)-2-methylindoline-5-sulfonamide,
AC1Q2QOY,
CTK6H4943,
AKOS030686410,
MCULE-8871447296,
NE37896,
UPCMLD0ENAT5810875:001,
EN300-23819,
Z235344667,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.746g/mol |
| Monoisotopic Mass | 288.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number