CAS RN: 1136813-84-7
2-Fluoro-N-(6-Methyl-2-pyridyl)benzenesulfonaMide
- Product code: SSC-013701
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1136813-84-7 / 2-fluoro-N-(6-methyl-2-pyridinyl)benzenesulfonamide
2-Fluoro-N-(6-methyl-2-pyridyl)benzenesulfonamide | 2-fluoro-N-(6-methylpyridin-2-yl)benzenesulfonamide | MFCD12635817
Basic Information
CAS
1136813-84-7
Multi CAS
No
Molecular Formula
C12H11FN2O2S
Molecular Weight
266.290000
Exact Mass
266.052527
SMILES
CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2F
InChI
InChI=1S/C12H11FN2O2S/c1-9-5-4-8-12(14-9)15-18(16,17)11-7-3-2-6-10(11)13/h2-8H,1H3,(H,14,15)
InChIKey
QPRYMOBGMZPONZ-UHFFFAOYSA-N
Synonyms
2-Fluoro-N-(6-methyl-2-pyridyl)benzenesulfonamide
2-fluoro-N-(6-methylpyridin-2-yl)benzenesulfonamide
MFCD12635817
Benzenesulfonamide, 2-fluoro-N-(6-methyl-2-pyridinyl)-
2-fluoro-N-(6-methyl-2-pyridinyl)benzenesulfonamide
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.18
TPSA
59.06
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.69
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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