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CAS 20555-67-3 4-AMINO-N-(3,4-DIMETHYLPHENYL)BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 20555-67-3

4-AMINO-N-(3,4-DIMETHYLPHENYL)BENZENESULFONAMIDE

  • Product code: SSC-096750
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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: 0.25g
  • 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 20555-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

20555-67-3 / 4-amino-N-(3,4-dimethylphenyl)benzenesulfonamide

Standard CAS: 20555-67-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20555-67-3
Multi CAS
No
Molecular Formula
C14H16N2O2S
Molecular Weight
276.360000
Exact Mass
276.093249
SMILES
CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C14H16N2O2S/c1-10-3-6-13(9-11(10)2)16-19(17,18)14-7-4-12(15)5-8-14/h3-9,16H,15H2,1-2H3
InChIKey
DTALSVTYPBXLQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.58
TPSA
72.19

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.5
Consensus LogP
2.52
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
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)
-2.5

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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