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CAS 89782-89-8 (4-Methoxyphenyl)methanesulfonamide molecular structure lightbox
CAS RN: 89782-89-8

(4-Methoxyphenyl)methanesulfonamide

  • Product code: SSC-201818
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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: 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 89782-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

89782-89-8 / (4-methoxyphenyl)methanesulfonamide

Standard CAS: 89782-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89782-89-8
Multi CAS
No
Molecular Formula
C8H11NO3S
Molecular Weight
201.250000
Exact Mass
201.045964
InChI
InChI=1S/C8H11NO3S/c1-12-8-4-2-7(3-5-8)6-13(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKey
ACJHPWNCNNFFTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.81
TPSA
69.39

LogP / Solubility

WLOGP
0.48
MLOGP
0.43
XLogP3
0.5
Consensus LogP
0.47
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6

Drug-likeness / Medicinal Chemistry

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

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