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CAS 1094209-33-2 indol-5-ylsulfonyl chloride molecular structure lightbox
CAS RN: 1094209-33-2

indol-5-ylsulfonyl chloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-010712
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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 1094209-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1094209-33-2 / 1H-indole-5-sulfonyl chloride

1H-indole-5-sulfonyl chloride | Indol-5-ylsulfonyl chloride | MFCD19200539

Standard CAS: 1094209-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094209-33-2
Multi CAS
No
Molecular Formula
C8H6ClNO2S
Molecular Weight
215.660000
Exact Mass
214.980777
SMILES
C1=CC2=C(C=CN2)C=C1S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClNO2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey
MZGMZFOGQIBZLB-UHFFFAOYSA-N
Synonyms
1H-indole-5-sulfonyl chloride Indol-5-ylsulfonyl chloride MFCD19200539 Indole-5-sulfonyl chloride 1H-indole-5-sulfonylchloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.34
TPSA
49.93

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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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