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CAS 158268-30-5 N-(4-iodophenyl)-4-methyl-benzenesulfonamide（WS203342） molecular structure lightbox
CAS RN: 158268-30-5

N-(4-iodophenyl)-4-methyl-benzenesulfonamide（WS203342）

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260701 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS158268-30-5
  • Purity/Analytical Methods: >99.0%
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158268-30-5 / N-(4-iodophenyl)-4-methylbenzenesulfonamide

Standard CAS: 158268-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158268-30-5
Multi CAS
No
Molecular Formula
C13H12INO2S
Molecular Weight
373.210000
Exact Mass
372.963350
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)I
InChI
InChI=1S/C13H12INO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3
InChIKey
CLEZIWMPIJOFOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.15
TPSA
46.17

LogP / Solubility

WLOGP
3.4
MLOGP
3.01
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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