1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.

Benzenesulfonamides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzenesulfonamides

Calculated Property

kind Value Source
logP 1.89 ALOGPS
logS -3.9 ALOGPS
Water Solubility 5.35e-02 g/l ALOGPS
logP 1.98 ChemAxon
IUPAC Name 1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione ChemAxon
Traditional IUPAC Name 1-methyl-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl]indole-2,3-dione ChemAxon
Molecular Weight 400.448 ChemAxon
Monoisotopic Weight 400.10929245 ChemAxon
SMILES [H][C@@]1(COC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C(=O)C2=O ChemAxon
Molecular Formula C20H20N2O5S ChemAxon
InChI InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 ChemAxon
InChIKey InChIKey=PFAYCUAUBOGVDX-AWEZNQCLSA-N ChemAxon
Polar Surface Area (PSA) 83.99 ChemAxon
Refractivity 103.31 ChemAxon
Polarizability 39.4 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -4.7 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Caspase-3 : in Human