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CAS 134283-64-0 4-Iodo-N-methylbenzenesulfonamide molecular structure lightbox
CAS RN: 134283-64-0

4-Iodo-N-methylbenzenesulfonamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS134283-64-0
  • Purity/Analytical Methods: >99.0%
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134283-64-0 / 4-iodo-N-methylbenzenesulfonamide

Standard CAS: 134283-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134283-64-0
Multi CAS
No
Molecular Formula
C7H8INO2S
Molecular Weight
297.120000
Exact Mass
296.932050
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)I
InChI
InChI=1S/C7H8INO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
CUHGLHPNTLMRLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.4
TPSA
46.17

LogP / Solubility

WLOGP
1.2
MLOGP
1.07
XLogP3
1.6
Consensus LogP
1.29
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

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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