CAS RN: 26199-83-7
N,N-DIMETHYL 3-NITROBENZENESULFONAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250912 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS26199-83-7
- Purity/Analytical Methods: >99.0%
26199-83-7 / N,N-dimethyl-3-nitrobenzenesulfonamide
Basic Information
CAS
26199-83-7
Multi CAS
No
Molecular Formula
C8H10N2O4S
Molecular Weight
230.240000
Exact Mass
230.036128
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O4S/c1-9(2)15(13,14)8-5-3-4-7(6-8)10(11)12/h3-6H,1-2H3
InChIKey
SIAFPFYUZDZDQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
53.97
TPSA
80.52
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-3.52
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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