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CAS 46249-41-6 4-(AMINOSULFONYL)BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 46249-41-6

4-(AMINOSULFONYL)BENZENESULFONYL CHLORIDE

  • Product code: SSC-153771
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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: 1g
  • 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 46249-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

46249-41-6 / 4-sulfamoylbenzenesulfonyl chloride

Standard CAS: 46249-41-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
46249-41-6
Multi CAS
No
Molecular Formula
C6H6CLNO4S2
Molecular Weight
255.700000
Exact Mass
254.942678
InChI
InChI=1S/C6H6ClNO4S2/c7-13(9,10)5-1-3-6(4-2-5)14(8,11)12/h1-4H,(H2,8,11,12)
InChIKey
LLFQHNCOIPUFIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.85
TPSA
94.3

LogP / Solubility

WLOGP
0.26
MLOGP
0.24
XLogP3
0.5
Consensus LogP
0.33
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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