CAS RN: 1000339-36-5
N-Ethyl-N-(4-methoxybenzyl)benzenesulphonamide
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.20250828 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1000339-36-5
- Purity/Analytical Methods: >99.0%
1000339-36-5 / N-ethyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
N-Ethyl-N-(4-methoxybenzyl)benzenesulfonamide | 1000339-36-5 | N-ethyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
Basic Information
CAS
1000339-36-5
Multi CAS
No
Molecular Formula
C16H19NO3S
Molecular Weight
305.400000
Exact Mass
305.108565
SMILES
CCN(CC1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H19NO3S/c1-3-17(13-14-9-11-15(20-2)12-10-14)21(18,19)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3
InChIKey
FPJRJXFBGCSTSH-UHFFFAOYSA-N
Synonyms
N-Ethyl-N-(4-methoxybenzyl)benzenesulfonamide
1000339-36-5
N-ethyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
MFCD09878415
N-Ethyl-N-(4-methoxybenzyl)benzenesulphonamide
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
82.71
TPSA
46.61
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
