CC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C3=CC=CC=C3
CAS: 118757-07-6
Nom: 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanone
SMILES: CC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C3=CC=CC=C3

Molecular Processing

Molecular formula
C16H15NO3S
Molecular weight
301.37
Exact mass
301.0773
XLogP
2.64
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
81.12

Supplementary Information

InChIKey: XWLXCPAOTPHXLP-UHFFFAOYSA-N
Synonymes
1-(1-Benzenesulfonyl-2,3-dihydro-1H-indol-5-yl)-ethanone118757-07-61-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]ethanoneSCHEMBL397088XWLXCPAOTPHXLP-UHFFFAOYSA-NDB-3107951-(1-(phenylsulfonyl)indolin-5-yl)ethanoneA1-10843
Voir la source →
Impliqué dans 46 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→