[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.

Phenylpiperidines

Organic compounds

Organoheterocyclic compounds

Piperidines

Phenylpiperidines

Calculated Property

kind Value Source
logP 2.14 ALOGPS
logS -4.5 ALOGPS
Water Solubility 1.27e-02 g/l ALOGPS
logP 1.97 ChemAxon
IUPAC Name 2-[4-(4-phenylpiperidin-1-yl)benzenesulfonamido]acetic acid ChemAxon
Traditional IUPAC Name 4-(4-phenylpiperidin-1-yl)benzenesulfonamidoacetic acid ChemAxon
Molecular Weight 374.454 ChemAxon
Monoisotopic Weight 374.130027892 ChemAxon
SMILES OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1 ChemAxon
Molecular Formula C19H22N2O4S ChemAxon
InChI InChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23) ChemAxon
InChIKey InChIKey=GNSLACGSDSJAIQ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 86.71 ChemAxon
Refractivity 100.41 ChemAxon
Polarizability 40.03 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 2.61 ChemAxon
pKa (strongest basic) 3.24 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Stromelysin-1 : in Human