CAS RN: 207801-52-3
N-(5-bromopyridin-2-yl)-4-methylbenzenesulfonamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-097791
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
207801-52-3 / N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
Basic Information
CAS
207801-52-3
Multi CAS
No
Molecular Formula
C12H11BrN2O2S
Molecular Weight
327.200000
Exact Mass
325.972460
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)Br
InChI
InChI=1S/C12H11BrN2O2S/c1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2-8H,1H3,(H,14,15)
InChIKey
UMFVGVQNRKEYEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.92
TPSA
59.06
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-2.62
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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