CAS RN: 2080-33-3
4-ACETAMIDOBENZENESULFONANILIDE
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.20250704 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2080-33-3
- Purity/Analytical Methods: >99.0%
2080-33-3 / N-[4-(phenylsulfamoyl)phenyl]acetamide
Basic Information
CAS
2080-33-3
Multi CAS
No
Molecular Formula
C14H14N2O3S
Molecular Weight
290.340000
Exact Mass
290.072513
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O3S/c1-11(17)15-12-7-9-14(10-8-12)20(18,19)16-13-5-3-2-4-6-13/h2-10,16H,1H3,(H,15,17)
InChIKey
GDPQDWYHZBUJTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78
TPSA
75.27
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
1.4
Consensus LogP
2
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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