4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)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 2.02 ALOGPS
logS -4.2 ALOGPS
Water Solubility 1.89e-02 g/l ALOGPS
logP 1.66 ChemAxon
IUPAC Name N-[(2,4-difluorophenyl)methyl]-4-sulfamoylbenzamide ChemAxon
Traditional IUPAC Name N-[(2,4-difluorophenyl)methyl]-4-sulfamoylbenzamide ChemAxon
Molecular Weight 326.318 ChemAxon
Monoisotopic Weight 326.05366936 ChemAxon
SMILES NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1 ChemAxon
Molecular Formula C14H12F2N2O3S ChemAxon
InChI InChI=1S/C14H12F2N2O3S/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(6-3-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21) ChemAxon
InChIKey InChIKey=NTDFJEKGSGSXME-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 89.26 ChemAxon
Refractivity 77.24 ChemAxon
Polarizability 29.95 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