CAS RN: 121-52-8
3-Nitrobenzenesulfonamide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250613 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-022342
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
121-52-8 / 3-nitrobenzenesulfonamide
3-Nitrobenzenesulfonamide | Benzenesulfonamide, 3-nitro- | m-Nitrobenzenesulfonamide
Basic Information
CAS
121-52-8
Multi CAS
No
Molecular Formula
C6H6N2O4S
Molecular Weight
202.190000
Exact Mass
202.004828
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
InChIKey
TXTQURPQLVHJRE-UHFFFAOYSA-N
Synonyms
3-Nitrobenzenesulfonamide
Benzenesulfonamide, 3-nitro-
m-Nitrobenzenesulfonamide
3-Nitrobenzolesulfamide
Benzenesulfonamide, m-nitro-
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.47
TPSA
103.3
LogP / Solubility
WLOGP
0.24
MLOGP
0.21
XLogP3
0.6
Consensus LogP
0.35
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-3.78
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
