CAS RN: 1197-22-4
N-Phenylmethanesulfonamide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260629 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-020381
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 | Shanghai | Inquiry |
1197-22-4 / N-phenylmethanesulfonamide
N-Phenylmethanesulfonamide | Methanesulfonamide, N-phenyl- | Methanesulfonanilide
Basic Information
CAS
1197-22-4
Multi CAS
Yes
Molecular Formula
C7H9NO2S
Molecular Weight
171.220000
Exact Mass
171.035400
SMILES
CS(=O)(=O)NC1=CC=CC=C1
InChI
InChI=1S/C7H9NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
LBTPIFQNEKOAIM-UHFFFAOYSA-N
Synonyms
N-Phenylmethanesulfonamide
Methanesulfonamide, N-phenyl-
Methanesulfonanilide
N-Mesylaniline
Methanesulfanilide
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.91
TPSA
46.17
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
