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CAS 3743-29-1 N-(m-hydroxyphenyl)-p-toluenesulphonamide molecular structure lightbox
CAS RN: 3743-29-1

N-(m-hydroxyphenyl)-p-toluenesulphonamide

  • Product code: SSC-144736
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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: 1g
  • 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 3743-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

3743-29-1 / N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide

Standard CAS: 3743-29-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3743-29-1
Multi CAS
Yes
Molecular Formula
C13H13NO3S
Molecular Weight
263.310000
Exact Mass
263.061614
InChI
InChI=1S/C13H13NO3S/c1-10-5-7-13(8-6-10)18(16,17)14-11-3-2-4-12(15)9-11/h2-9,14-15H,1H3
InChIKey
JKRIULAJORWCLQ-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
3
H-bond donors
2
Molar refractivity
70.09
TPSA
66.4

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.4
Consensus LogP
2.37
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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