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CAS 4284-47-3 N-(4-methylphenyl)methanesulfonamide molecular structure lightbox
CAS RN: 4284-47-3

N-(4-methylphenyl)methanesulfonamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4284-47-3
  • Purity/Analytical Methods: >99.0%
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4284-47-3 / N-(4-methylphenyl)methanesulfonamide

Standard CAS: 4284-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4284-47-3
Multi CAS
No
Molecular Formula
C8H11NO2S
Molecular Weight
185.250000
Exact Mass
185.051050
InChI
InChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)9-12(2,10)11/h3-6,9H,1-2H3
InChIKey
JSSIRQJITXDDGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.65
TPSA
46.17

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.88

Drug-likeness / Medicinal Chemistry

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

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