CAS RN: 1154376-24-5
3-amino-N-methoxy-N-methylbenzenesulfonamide
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.20260106 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1154376-24-5
- Purity/Analytical Methods: >99.0%
1154376-24-5 / 3-amino-N-methoxy-N-methylbenzenesulfonamide
3-Amino-N-Methoxy-N-methylbenzene-1-sulphonamide | 3-amino-N-methoxy-N-methylbenzenesulfonamide | MFCD12095400
Basic Information
CAS
1154376-24-5
Multi CAS
No
Molecular Formula
C8H12N2O3S
Molecular Weight
216.260000
Exact Mass
216.056863
SMILES
CN(OC)S(=O)(=O)C1=CC=CC(=C1)N
InChI
InChI=1S/C8H12N2O3S/c1-10(13-2)14(11,12)8-5-3-4-7(9)6-8/h3-6H,9H2,1-2H3
InChIKey
DHXCRTDMJHTFJF-UHFFFAOYSA-N
Synonyms
3-Amino-N-Methoxy-N-methylbenzene-1-sulphonamide
3-amino-N-methoxy-N-methylbenzenesulfonamide
MFCD12095400
3-Amino-N-methoxy-N-methylbenzene-1-sulfonamide
BS-47654
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.81
TPSA
72.63
LogP / Solubility
WLOGP
0.45
MLOGP
0.4
XLogP3
0.4
Consensus LogP
0.42
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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