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CAS 22680-43-9 2-aMino-4-chloro-N-MethylbenzenesulfonaMide molecular structure lightbox
CAS RN: 22680-43-9

2-aMino-4-chloro-N-MethylbenzenesulfonaMide

  • Product code: SSC-110654
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22680-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

22680-43-9 / 2-amino-4-chloro-N-methylbenzenesulfonamide

Standard CAS: 22680-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22680-43-9
Multi CAS
No
Molecular Formula
C7H9ClN2O2S
Molecular Weight
220.680000
Exact Mass
220.007326
SMILES
CNS(=O)(=O)C1=C(C=C(C=C1)Cl)N
InChI
InChI=1S/C7H9ClN2O2S/c1-10-13(11,12)7-3-2-5(8)4-6(7)9/h2-4,10H,9H2,1H3
InChIKey
GEKOLPZUOIJKLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.11
TPSA
72.19

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
1
Consensus LogP
0.85
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.48

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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