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CAS 424819-35-2 N-(4-fluorobenzyl)benzenesulfonamide molecular structure lightbox
CAS RN: 424819-35-2

N-(4-fluorobenzyl)benzenesulfonamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS424819-35-2
  • Purity/Analytical Methods: >99.0%
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424819-35-2 / N-[(4-fluorophenyl)methyl]benzenesulfonamide

Standard CAS: 424819-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
424819-35-2
Multi CAS
No
Molecular Formula
C13FH12NO2S
Molecular Weight
265.310000
Exact Mass
265.057278
InChI
InChI=1S/C13H12FNO2S/c14-12-8-6-11(7-9-12)10-15-18(16,17)13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKey
VZFHYMWEKVIQRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.87
TPSA
46.17

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
2.5
Consensus LogP
2.28
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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