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CAS 62547-11-9 5-(4-CHLORO-PHENYLSULFAMOYL)-2-HYDROXY-BENZOIC ACID molecular structure lightbox
CAS RN: 62547-11-9

5-(4-CHLORO-PHENYLSULFAMOYL)-2-HYDROXY-BENZOIC ACID

  • Product code: SSC-171761
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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 62547-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

62547-11-9 / 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoic acid

Standard CAS: 62547-11-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62547-11-9
Multi CAS
Yes
Molecular Formula
C13H10CLNO5S
Molecular Weight
327.740000
Exact Mass
326.996821
InChI
InChI=1S/C13H10ClNO5S/c14-8-1-3-9(4-2-8)15-21(19,20)10-5-6-12(16)11(7-10)13(17)18/h1-7,15-16H,(H,17,18)
InChIKey
JSSWUGKMGVSLDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
77.33
TPSA
103.7

LogP / Solubility

WLOGP
2.54
MLOGP
2.25
XLogP3
3.6
Consensus LogP
2.8
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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