[Synonyms]
ZINC00881306
BAS 02813287
2-(Benzenesulfonyl-phenyl-amino)-N-benzo[1,3]dioxol-5-yl-acetamide
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(phenyl-phenylsulfonylamino)acetamide
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1/C21H18N2O5S/c24-21(22-16-11-12-19-20(13-16)28-15-27-19)14-23(17-
7-3-1-4-8-17)29(25,26)18-9-5-2-6-10-18/h1-13H,14-15H2,(H,22,24)/f/h22H
ZINC00881306
BAS 02813287
2-(Benzenesulfonyl-phenyl-amino)-N-benzo[1,3]dioxol-5-yl-acetamide
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 410.44302 [g/mol] |
| Molecular Formula | C21H18N2O5S |
| XLogP | 3.8 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotatable Bond Count | 6 |
| Tautomer Count | 2 |
| Exact Mass | 410.093642 |
| MonoIsotopic Mass | 410.093642 |
| Topological Polar Surface Area | 84.9 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 653 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(phenyl-phenylsulfonylamino)acetamide
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1/C21H18N2O5S/c24-21(22-16-11-12-19-20(13-16)28-15-27-19)14-23(17-
7-3-1-4-8-17)29(25,26)18-9-5-2-6-10-18/h1-13H,14-15H2,(H,22,24)/f/h22H
