CAS RN: 312-63-0
N-(4-Fluorophenyl)benzenesulfonaMide
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: starshine_CAS312-63-0
- Purity/Analytical Methods: >99.0%
312-63-0 / N-(4-fluorophenyl)benzenesulfonamide
Basic Information
CAS
312-63-0
Multi CAS
No
Molecular Formula
C12FH10NO2S
Molecular Weight
251.280000
Exact Mass
251.041628
InChI
InChI=1S/C12H10FNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h1-9,14H
InChIKey
AZORQGXJAXEIGC-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
63.65
TPSA
46.17
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
alpha,alpha,alpha,alpha’,alpha’-pentafluoro-o-xylene
- CAS RN: 312-95-8
- Product Code: SSC-136473
-
DESMOSTEROL
- CAS RN: 313-04-2
- Product Code: starshine_CAS313-04-2
- Purity/Analytical method: >99.0%
