1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.

Aminobenzenesulfonamides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzenesulfonamides

Calculated Property

kind Value Source
logP 0.56 ALOGPS
logS -2.3 ALOGPS
Water Solubility 1.51e+00 g/l ALOGPS
logP 1.41 ChemAxon
IUPAC Name (2S)-1-(2-amino-4-chloro-5-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid ChemAxon
Traditional IUPAC Name (2S)-1-(2-amino-4-chloro-5-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid ChemAxon
Molecular Weight 318.777 ChemAxon
Monoisotopic Weight 318.044105375 ChemAxon
SMILES [H][C@]1(CCCN1S(=O)(=O)C1=C(N)C=C(Cl)C(C)=C1)C(O)=O ChemAxon
Molecular Formula C12H15ClN2O4S ChemAxon
InChI InChI=1S/C12H15ClN2O4S/c1-7-5-11(9(14)6-8(7)13)20(18,19)15-4-2-3-10(15)12(16)17/h5-6,10H,2-4,14H2,1H3,(H,16,17)/t10-/m0/s1 ChemAxon
InChIKey InChIKey=OWYKAFABUYXQLE-JTQLQIEISA-N ChemAxon
Polar Surface Area (PSA) 100.7 ChemAxon
Refractivity 75.93 ChemAxon
Polarizability 30.24 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 3.22 ChemAxon
pKa (strongest basic) 1.13 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

  • Genome polyprotein : in Hepatitis C virus subtype 1b