CAS RN: 125274-65-9
2-(AMINOSULFONYL)-N,N-DIMETHYL-3-PYRIDINECARBOXAMIDE
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.20250615 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS125274-65-9
- Purity/Analytical Methods: >99.0%
125274-65-9 / N,N-dimethyl-2-sulfamoylbenzamide
Basic Information
CAS
125274-65-9
Multi CAS
No
Molecular Formula
C9H12N2O3S
Molecular Weight
228.270000
Exact Mass
228.056863
SMILES
CN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C9H12N2O3S/c1-11(2)9(12)7-5-3-4-6-8(7)15(10,13)14/h3-6H,1-2H3,(H2,10,13,14)
InChIKey
WVYHLTPSPMSWBE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.83
TPSA
80.47
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
-1.2
Consensus LogP
-0.38
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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