| CAS Number | 785792-42-9 |
| Catalog Number | AG00ICYG |
| Chemical Name | 4-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1-sulfonamide |
| IUPAC Name | 4-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzenesulfonamide |
| InChI | InChI=1S/C14H15ClN2O3S/c1-9-7-13(14(18)8-15)10(2)17(9)11-3-5-12(6-4-11)21(16,19)20/h3-7H,8H2,1-2H3,(H2,16,19,20) |
| InChI Key | PUOAXAVWAHEOMF-UHFFFAOYSA-N |
| MDL Number | MFCD06350999 |
| Molecular Formula | C14H15ClN2O3S |
| Molecular Weight | 326.7985 |
| SMILES | ClCC(=O)c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)C |
| Synonyms | 785792-42-9,
4-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzenesulfonamide,
NE39026,
EN300-10688,
SR-01000057103,
SR-01000057103-1,
4-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzenesulfonamide,
CID2094173,
4-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide,
4-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1-sulfonamide,
AC1M1EQD,
AC1Q2HM5,
CTK6H4635,
ZINC2631699,
MFCD06350999,
AKOS008965669,
MCULE-5451307545,
|
| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.795g/mol |
| Monoisotopic Mass | 326.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number