CAS RN: 52374-25-1
N-Benzyl-4-nitrobenzenesulfonaMide
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.20250619 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52374-25-1
- Purity/Analytical Methods: >99.0%
52374-25-1 / N-benzyl-4-nitrobenzenesulfonamide
Basic Information
CAS
52374-25-1
Multi CAS
No
Molecular Formula
C13H12N2O4S
Molecular Weight
292.310000
Exact Mass
292.051778
InChI
InChI=1S/C13H12N2O4S/c16-15(17)12-6-8-13(9-7-12)20(18,19)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey
OKABXQCJRCTYLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.56
TPSA
89.31
LogP / Solubility
WLOGP
2.07
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
