[email protected]
CAS 210422-66-5 N’-(4-fluorobenzylidene)-4-methylbenzenesulfonohydrazide molecular structure lightbox
CAS RN: 210422-66-5

N’-(4-fluorobenzylidene)-4-methylbenzenesulfonohydrazide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS210422-66-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

210422-66-5 / N-[(E)-(4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide

Standard CAS: 210422-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210422-66-5
Multi CAS
No
Molecular Formula
C14H13FN2O2S
Molecular Weight
292.330000
Exact Mass
292.068177
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C14H13FN2O2S/c1-11-2-8-14(9-3-11)20(18,19)17-16-10-12-4-6-13(15)7-5-12/h2-10,17H,1H3/b16-10+
InChIKey
OMBDHPYMTXWALU-MHWRWJLKSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.49
TPSA
58.53

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
3
Consensus LogP
2.54
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us