CAS RN: 1185317-97-8
N,N-diMethyl-4-(piperidin-4-yloxy)benzenesulfonaMide hydrochloride, 98+% C13H21ClN2O3S, MW: 320.84
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185317-97-8
- Purity/Analytical Methods: >99.0%
1185317-97-8 / N,N-dimethyl-4-piperidin-4-yloxybenzenesulfonamide;hydrochloride
N,N-dimethyl-4-(piperidin-4-yloxy)benzenesulfonamide hydrochloride | N,N-dimethyl-4-piperidin-4-yloxybenzenesulfonamide;hydrochloride | DTXSID00671375
Basic Information
CAS
1185317-97-8
Multi CAS
No
Molecular Formula
C13H21ClN2O3S
Molecular Weight
320.840000
Exact Mass
320.096141
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)OC2CCNCC2.Cl
InChI
InChI=1S/C13H20N2O3S.ClH/c1-15(2)19(16,17)13-5-3-11(4-6-13)18-12-7-9-14-10-8-12;/h3-6,12,14H,7-10H2,1-2H3;1H
InChIKey
GJGUQRCQTGAXFO-UHFFFAOYSA-N
Synonyms
N,N-dimethyl-4-(piperidin-4-yloxy)benzenesulfonamide hydrochloride
N,N-dimethyl-4-piperidin-4-yloxybenzenesulfonamide;hydrochloride
DTXSID00671375
SBB075711
AKOS015941506
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.08
TPSA
58.64
LogP / Solubility
WLOGP
1.49
MLOGP
1.33
XLogP3
1.49
Consensus LogP
1.44
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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