Metabolite Hydroxyhexamide

Name
Hydroxyhexamide
HMDB ID
HMDB60610
Description
Not Available
Structure
Thumb
CAS number
Not Available
Weight
Average: 326.411
Monoisotopic: 326.130027892
Chemical Formula
C15H22N2O4S
InChI Key
VQDAEOYLIBGCHE-UHFFFAOYSA-N
InChI
InChI=1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)
IUPAC Name
1-cyclohexyl-3-[4-(1-hydroxyethyl)benzenesulfonyl]urea
SMILES
CC(O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
Reactions
Predicted Properties
PropertyValueSource
Water Solubility0.16 mg/mLALOGPS
logP2.05ALOGPS
logP1.91ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)4.32ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area95.5 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity83.6 m3·mol-1ChemAxon
Polarizability33.94 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon