CAS RN: 166338-06-3
3-BroMo-N-phenylbenzenesulfonaMide
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.20250819 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS166338-06-3
- Purity/Analytical Methods: >99.0%
166338-06-3 / 3-bromo-N-phenylbenzenesulfonamide
Basic Information
CAS
166338-06-3
Multi CAS
No
Molecular Formula
C12H10BrNO2S
Molecular Weight
312.180000
Exact Mass
310.961560
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H10BrNO2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h1-9,14H
InChIKey
JPSZUSKQOMHYRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.39
TPSA
46.17
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.3
Consensus LogP
3.14
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-2.32
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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