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.


Organic compounds


Benzene and substituted derivatives


Calculated Property

kind Value Source
logP 1.05 ALOGPS
logS -2 ALOGPS
Water Solubility 2.91e+00 g/l ALOGPS
logP 1.64 ChemAxon
IUPAC Name (2R)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid ChemAxon
Traditional IUPAC Name tosyl-D-proline ChemAxon
Molecular Weight 269.317 ChemAxon
Monoisotopic Weight 269.072178663 ChemAxon
SMILES [H][C@@]1(CCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O ChemAxon
Molecular Formula C12H15NO4S ChemAxon
InChI InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1 ChemAxon
Polar Surface Area (PSA) 74.68 ChemAxon
Refractivity 66.42 ChemAxon
Polarizability 26.75 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 3.21 ChemAxon
Physiological Charge -1 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

  • Thymidylate synthase : in Escherichia coli (strain K12)