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CAS 114322-14-4 2,1,3-BENZOXADIAZOLE-4-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 114322-14-4

2,1,3-BENZOXADIAZOLE-4-SULFONYL CHLORIDE

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260622 1g Out of stock Inquiry
Batchno.20250731 5g Out of stock Inquiry
  • Product code: SSC-014151
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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: 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 114322-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

114322-14-4 / 2,1,3-benzoxadiazole-4-sulfonyl chloride

2,1,3-benzoxadiazole-4-sulfonyl chloride | DTXSID30370728 | RefChem:80493

Standard CAS: 114322-14-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114322-14-4
Multi CAS
No
Molecular Formula
C6H3ClN2O3S
Molecular Weight
218.620000
Exact Mass
217.955291
SMILES
C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H3ClN2O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
InChIKey
SIYWVPMYOGMRDW-UHFFFAOYSA-N
Synonyms
2,1,3-benzoxadiazole-4-sulfonyl chloride DTXSID30370728 RefChem:80493 DTXCID00321762 670-644-0

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
44.84
TPSA
73.06

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

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