Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

2-naphthalene sulfonic acids and derivatives

Organic compounds



Naphthalene sulfonic acids and derivatives

Calculated Property

kind Value Source
logP 3.14 ALOGPS
logS -6 ALOGPS
Water Solubility 4.31e-04 g/l ALOGPS
logP 3.67 ChemAxon
IUPAC Name (2R)-N-hydroxy-3-(naphthalen-2-yl)-2-(naphthalene-2-sulfonamido)propanamide ChemAxon
Traditional IUPAC Name (2R)-N-hydroxy-3-(naphthalen-2-yl)-2-(naphthalene-2-sulfonamido)propanamide ChemAxon
Molecular Weight 420.481 ChemAxon
Monoisotopic Weight 420.114377828 ChemAxon
SMILES [H][C@](CC1=CC2=C(C=CC=C2)C=C1)(NS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1)C(=O)NO ChemAxon
Molecular Formula C23H20N2O4S ChemAxon
InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 ChemAxon
Polar Surface Area (PSA) 95.5 ChemAxon
Refractivity 114.8 ChemAxon
Polarizability 43.4 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 8.69 ChemAxon
pKa (strongest basic) -5.5 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase : in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)