| CAS Number | 383147-41-9 |
| Catalog Number | AG00INSV(AGN-PC-0WAQL8) |
| Chemical Name | 4-Methoxy-N-[4-(1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide |
| IUPAC Name | 4-methoxy-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C17H16N2O3S/c1-22-16-8-10-17(11-9-16)23(20,21)18-14-4-6-15(7-5-14)19-12-2-3-13-19/h2-13,18H,1H3 |
| InChI Key | ZOLHTIXDWSGWAP-UHFFFAOYSA-N |
| MDL Number | MFCD03012001 |
| Molecular Formula | C17H16N2O3S |
| Molecular Weight | 328.3855 |
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)N1C=CC=C1 |
| Synonyms | 4-methoxy-N-[4-(1H-pyrrol-1-yl)phenyl]benzenesulfonamide,
MLS000736335,
383147-41-9,
4-methoxy-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide,
SMR000338285,
4-methoxy-N-[4-(1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide,
AC1MCFBI,
Oprea1_734234,
CHEMBL1545527,
BDBM47801,
cid_2768241,
KS-00001SBJ,
HMS2626O14,
ZINC3997381,
AKOS005079298,
MCULE-2770576951,
11R-1184,
4-methoxy-N-[4-(1-pyrrolyl)phenyl]benzenesulfonamide,
CID2768241,
|
| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.386g/mol |
| Monoisotopic Mass | 328.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number