CAS RN: 116-41-6
N-(2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide（WS203332）
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.20250107 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS116-41-6
- Purity/Analytical Methods: >99.0%
116-41-6 / N-(2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide
N-(2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide | N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1-sulfonamide | MFCD00684248
Basic Information
CAS
116-41-6
Multi CAS
No
Molecular Formula
C15H17NO3S
Molecular Weight
291.400000
Exact Mass
291.092915
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C)OC
InChI
InChI=1S/C15H17NO3S/c1-11-4-7-13(8-5-11)20(17,18)16-14-10-12(2)6-9-15(14)19-3/h4-10,16H,1-3H3
InChIKey
QDYAIVOXDZTGTJ-UHFFFAOYSA-N
Synonyms
N-(2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide
N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1-sulfonamide
MFCD00684248
Oprea1_281199
Oprea1_745311
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.72
TPSA
55.4
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-2.29
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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