CAS RN: 210918-25-5
4-(aminomethyl)-N,N-dimethylbenzenesulfonamide
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.20250909 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS210918-25-5
- Purity/Analytical Methods: >99.0%
210918-25-5 / 4-(aminomethyl)-N,N-dimethylbenzenesulfonamide
Basic Information
CAS
210918-25-5
Multi CAS
No
Molecular Formula
C9H14N2O2S
Molecular Weight
214.290000
Exact Mass
214.077599
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)CN
InChI
InChI=1S/C9H14N2O2S/c1-11(2)14(12,13)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3
InChIKey
XSKLMWLTOSBDGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.21
TPSA
63.4
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
1.4
Consensus LogP
0.72
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75
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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