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CAS RN: 1353947-18-8
2,4-Dichloro-N-Methyl-N-piperidin-3-yl-benzenesulfonaMide hydrochloride
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.20250803 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353947-18-8
- Purity/Analytical Methods: >99.0%
1353947-18-8 / 2,4-dichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
Basic Information
CAS
1353947-18-8
Multi CAS
No
Molecular Formula
C12H17Cl3N2O2S
Molecular Weight
359.700000
Exact Mass
358.007632
SMILES
CN(C1CCCNC1)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl.Cl
InChI
InChI=1S/C12H16Cl2N2O2S.ClH/c1-16(10-3-2-6-15-8-10)19(17,18)12-5-4-9(13)7-11(12)14;/h4-5,7,10,15H,2-3,6,8H2,1H3;1H
InChIKey
VMUYILXSUARSSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.55
TPSA
49.41
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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