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CAS RN: 325724-65-0
5-AMINO-2-CHLORO-N-(3-CHLORO-PHENYL)-BENZENESULFONAMIDE
- Product code: SSC-138182
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
325724-65-0 / 5-amino-2-chloro-N-(3-chlorophenyl)benzenesulfonamide
Basic Information
CAS
325724-65-0
Multi CAS
No
Molecular Formula
C12H10CL2N2O2S
Molecular Weight
317.200000
Exact Mass
315.984004
InChI
InChI=1S/C12H10Cl2N2O2S/c13-8-2-1-3-10(6-8)16-19(17,18)12-7-9(15)4-5-11(12)14/h1-7,16H,15H2
InChIKey
NEACNGHHQWFDRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.12
TPSA
72.19
LogP / Solubility
WLOGP
3.38
MLOGP
2.99
XLogP3
3
Consensus LogP
3.12
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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