![CAS 1146699-67-3 PentanaMide, 2-[[(4-chlorophenyl)sulfonyl]aMino]-5,5,5-trifluoro-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146699-67-3.gif)
CAS RN: 1146699-67-3
PentanaMide, 2-[[(4-chlorophenyl)sulfonyl]aMino]-5,5,5-trifluoro-, (2R)-
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.20260429 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146699-67-3
- Purity/Analytical Methods: >99.0%
1146699-67-3 / (2R)-2-[(4-chlorophenyl)sulfonylamino]-5,5,5-trifluoropentanamide
C11H12ClF3N2O3S | SCHEMBL12502549 | 2-(4-Chlorophenylsulfonylamino)-5,5,5-trifluoropentanamide
Basic Information
CAS
1146699-67-3
Multi CAS
Yes
Molecular Formula
C11H12ClF3N2O3S
Molecular Weight
344.740000
Exact Mass
344.020926
SMILES
C1=CC(=CC=C1S(=O)(=O)N[C@H](CCC(F)(F)F)C(=O)N)Cl
InChI
InChI=1S/C11H12ClF3N2O3S/c12-7-1-3-8(4-2-7)21(19,20)17-9(10(16)18)5-6-11(13,14)15/h1-4,9,17H,5-6H2,(H2,16,18)/t9-/m1/s1
InChIKey
AMDXQCHTJWVNGY-SECBINFHSA-N
Synonyms
C11H12ClF3N2O3S
SCHEMBL12502549
2-(4-Chlorophenylsulfonylamino)-5,5,5-trifluoropentanamide
AMDXQCHTJWVNGY-UHFFFAOYSA-N
2-[(4-chlorophenyl)sulfonylamino]-5,5,5-trifluoro-pentanamide
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.04
TPSA
89.26
LogP / Solubility
WLOGP
1.81
MLOGP
1.61
XLogP3
2.3
Consensus LogP
1.91
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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