CAS RN: 1709-50-8
N,N-Diethylbenzenesulfonamide
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.20260701 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1709-50-8
- Purity/Analytical Methods: >99.0%
1709-50-8 / N,N-diethylbenzenesulfonamide
Basic Information
CAS
1709-50-8
Multi CAS
No
Molecular Formula
C10H15NO2S
Molecular Weight
213.300000
Exact Mass
213.082350
SMILES
CCN(CC)S(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H15NO2S/c1-3-11(4-2)14(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
FZIFUJULXRFHBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
56.55
TPSA
37.38
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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