4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.

N-benzylbenzamides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzamides

Calculated Property

kind Value Source
logP 2.24 ALOGPS
logS -4.4 ALOGPS
Water Solubility 1.27e-02 g/l ALOGPS
logP 1.81 ChemAxon
IUPAC Name 4-sulfamoyl-N-[(2,3,4-trifluorophenyl)methyl]benzamide ChemAxon
Traditional IUPAC Name 4-sulfamoyl-N-[(2,3,4-trifluorophenyl)methyl]benzamide ChemAxon
Molecular Weight 344.309 ChemAxon
Monoisotopic Weight 344.044247533 ChemAxon
SMILES NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C=C1 ChemAxon
Molecular Formula C14H11F3N2O3S ChemAxon
InChI InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22) ChemAxon
InChIKey InChIKey=AANTYZRUJFNZFI-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 89.26 ChemAxon
Refractivity 77.45 ChemAxon
Polarizability 30.06 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.95 ChemAxon
pKa (strongest basic) -1.3 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