CAS RN: 1185318-30-2
N,N-dimethyl-4-(piperazin-1-ylmethyl)benzenesulfonamide hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250819 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185318-30-2
- Purity/Analytical Methods: >99.0%
1185318-30-2 / N,N-dimethyl-4-(piperazin-1-ylmethyl)benzenesulfonamide;hydrochloride
N,N-dimethyl-4-(piperazin-1-ylmethyl)benzenesulfonamide hydrochloride | N,N-dimethyl-4-(piperazin-1-ylmethyl)benzenesulfonamide;hydrochloride | DTXSID90671788
Basic Information
CAS
1185318-30-2
Multi CAS
No
Molecular Formula
C13H22ClN3O2S
Molecular Weight
319.850000
Exact Mass
319.112126
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)CN2CCNCC2.Cl
InChI
InChI=1S/C13H21N3O2S.ClH/c1-15(2)19(17,18)13-5-3-12(4-6-13)11-16-9-7-14-8-10-16;/h3-6,14H,7-11H2,1-2H3;1H
InChIKey
OJWBBBCEXLGXJF-UHFFFAOYSA-N
Synonyms
N,N-dimethyl-4-(piperazin-1-ylmethyl)benzenesulfonamide hydrochloride
N,N-dimethyl-4-(piperazin-1-ylmethyl)benzenesulfonamide;hydrochloride
DTXSID90671788
AKOS015941472
DB-308800
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
82.71
TPSA
52.65
LogP / Solubility
WLOGP
0.76
MLOGP
0.69
XLogP3
0.76
Consensus LogP
0.74
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13
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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