CAS RN: 1185307-88-3
N,N-dimethyl-4-(piperazin-1-yl)benzenesulfonamide hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260401 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-88-3
- Purity/Analytical Methods: >99.0%
1185307-88-3 / N,N-dimethyl-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
N,N-dimethyl-4-(piperazin-1-yl)benzenesulfonamide hydrochloride | N,N-dimethyl-4-piperazin-1-ylbenzenesulfonamide;hydrochloride | N,N-dimethyl-4-(piperazin-1-yl)benzene-1-sulfonamide hydrochloride
Basic Information
CAS
1185307-88-3
Multi CAS
No
Molecular Formula
C12H20ClN3O2S
Molecular Weight
305.830000
Exact Mass
305.096476
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)N2CCNCC2.Cl
InChI
InChI=1S/C12H19N3O2S.ClH/c1-14(2)18(16,17)12-5-3-11(4-6-12)15-9-7-13-8-10-15;/h3-6,13H,7-10H2,1-2H3;1H
InChIKey
GBGVYXWDRRKYPB-UHFFFAOYSA-N
Synonyms
N,N-dimethyl-4-(piperazin-1-yl)benzenesulfonamide hydrochloride
N,N-dimethyl-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
N,N-dimethyl-4-(piperazin-1-yl)benzene-1-sulfonamide hydrochloride
DTXSID30671787
SBB075968
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.65
TPSA
52.65
LogP / Solubility
WLOGP
0.77
MLOGP
0.69
XLogP3
0.77
Consensus LogP
0.74
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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