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CAS 51765-51-6 (2-PHENOXY)METHYLSULFONYLANILINE molecular structure lightbox
CAS RN: 51765-51-6

(2-PHENOXY)METHYLSULFONYLANILINE

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 100g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250903 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260119 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250819 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251216 500g Out of stock Inquiry
Batchno.20250202 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS51765-51-6
  • Purity/Analytical Methods: >99.0%
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51765-51-6 / N-(2-phenoxyphenyl)methanesulfonamide

Standard CAS: 51765-51-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51765-51-6
Multi CAS
Yes
Molecular Formula
C13H13NO3S
Molecular Weight
263.310000
Exact Mass
263.061614
InChI
InChI=1S/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKey
WSFHNGGYRUTXFN-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
3
H-bond donors
1
Molar refractivity
71.42
TPSA
55.4

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.8
Consensus LogP
2.72
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.3

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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