N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide

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 2.97 ALOGPS
logS -4.2 ALOGPS
Water Solubility 2.37e-02 g/l ALOGPS
logP 2.93 ChemAxon
IUPAC Name 2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide ChemAxon
Traditional IUPAC Name 2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide ChemAxon
Molecular Weight 338.465 ChemAxon
Monoisotopic Weight 338.166413398 ChemAxon
SMILES [H][C@]1(CC2=C(C1)C=C(C=C2)S(N)(=O)=O)NC(=O)C(CCC)CCC ChemAxon
Molecular Formula C17H26N2O3S ChemAxon
InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1 ChemAxon
InChIKey InChIKey=XBYJCVDSFWJBSM-OAHLLOKOSA-N ChemAxon
Polar Surface Area (PSA) 89.26 ChemAxon
Refractivity 91.47 ChemAxon
Polarizability 37.63 ChemAxon
Rotatable Bond Count 7 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 10.19 ChemAxon
pKa (strongest basic) 0.61 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Carbonic anhydrase 2 : in Human