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CAS 1027345-07-8 4-Fluoro-3-(trifluoromethylsulfonyl)benzenesulfonyl Chloride molecular structure lightbox
CAS RN: 1027345-07-8

4-Fluoro-3-(trifluoromethylsulfonyl)benzenesulfonyl Chloride

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260628 1g In stock Inquiry
Batchno.20260220 250mg In stock Inquiry
  • Product code: SSC-004064
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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, 1g, 5g
  • 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 1027345-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1027345-07-8 / 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonyl chloride

4-FLUORO-3-(TRIFLUOROMETHYLSULFONYL)BENZENESULFONYL CHLORIDE | 4-Fluoro-3-((trifluoromethyl)sulfonyl)benzene-1-sulfonyl chloride | MFCD16883063

Standard CAS: 1027345-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1027345-07-8
Multi CAS
Yes
Molecular Formula
C7H3ClF4O4S2
Molecular Weight
326.700000
Exact Mass
325.909741
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)S(=O)(=O)C(F)(F)F)F
InChI
InChI=1S/C7H3ClF4O4S2/c8-18(15,16)4-1-2-5(9)6(3-4)17(13,14)7(10,11)12/h1-3H
InChIKey
SYZOKHJRIIDLOQ-UHFFFAOYSA-N
Synonyms
4-FLUORO-3-(TRIFLUOROMETHYLSULFONYL)BENZENESULFONYL CHLORIDE 4-Fluoro-3-((trifluoromethyl)sulfonyl)benzene-1-sulfonyl chloride MFCD16883063 C7H3ClF4O4S2 Benzenesulfonyl chloride, 4-fluoro-3-[(trifluoromethyl)sulfonyl]-

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.68
TPSA
68.28

LogP / Solubility

WLOGP
2.05
MLOGP
1.82
XLogP3
2.5
Consensus LogP
2.12
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

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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