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CAS 216700-84-4 N-(2-AMINO-PHENYL)-4-FLUORO-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 216700-84-4

N-(2-AMINO-PHENYL)-4-FLUORO-BENZENESULFONAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS216700-84-4
  • Purity/Analytical Methods: >99.0%
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216700-84-4 / N-(2-aminophenyl)-4-fluorobenzenesulfonamide

Standard CAS: 216700-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216700-84-4
Multi CAS
No
Molecular Formula
C12H11FN2O2S
Molecular Weight
266.290000
Exact Mass
266.052527
SMILES
C1=CC=C(C(=C1)N)NS(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN2O2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2
InChIKey
JNMXTMNGVYNSPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.06
TPSA
72.19

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.5
Consensus LogP
1.89
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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