(1R)-1-{[(4′-METHOXY-1,1′-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Biphenyls and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 1.43 ALOGPS
logS -2.9 ALOGPS
Water Solubility 4.61e-01 g/l ALOGPS
logP 2.43 ChemAxon
IUPAC Name [(1S)-1-[4-(4-methoxyphenyl)benzenesulfonamido]-2-methylpropyl]phosphonic acid ChemAxon
Traditional IUPAC Name (1S)-1-[4-(4-methoxyphenyl)benzenesulfonamido]-2-methylpropylphosphonic acid ChemAxon
Molecular Weight 399.398 ChemAxon
Monoisotopic Weight 399.090544643 ChemAxon
SMILES [H][C@](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC)C=C1)(C(C)C)P(O)(O)=O ChemAxon
Molecular Formula C17H22NO6PS ChemAxon
InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1 ChemAxon
InChIKey InChIKey=BZVYQWLRCHLAGK-QGZVFWFLSA-N ChemAxon
Polar Surface Area (PSA) 112.93 ChemAxon
Refractivity 98.92 ChemAxon
Polarizability 38.92 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.48 ChemAxon
pKa (strongest basic) -4.8 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

  • Neutrophil collagenase : in Human