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CAS 51891-85-1 4-(1H-PYRAZOL-1-YL)BENZENE-1-SULFONAMIDE molecular structure lightbox
CAS RN: 51891-85-1

4-(1H-PYRAZOL-1-YL)BENZENE-1-SULFONAMIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-158901
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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 51891-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

51891-85-1 / 4-pyrazol-1-ylbenzenesulfonamide

Standard CAS: 51891-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51891-85-1
Multi CAS
No
Molecular Formula
C9H9N3O2S
Molecular Weight
223.250000
Exact Mass
223.041548
InChI
InChI=1S/C9H9N3O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H,(H2,10,13,14)
InChIKey
UJLPVGLFJFFLCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.94
TPSA
77.98

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
0.8
Consensus LogP
0.59
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.71

Drug-likeness / Medicinal Chemistry

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

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