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CAS 14511-59-2 Ethyl 4-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzene Sulfonamide Carbamate molecular structure lightbox
CAS RN: 14511-59-2

Ethyl 4-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzene Sulfonamide Carbamate

  • Product code: SSC-056496
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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 14511-59-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

14511-59-2 / ethyl N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate

Standard CAS: 14511-59-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14511-59-2
Multi CAS
No
Molecular Formula
C19H21ClN2O6S
Molecular Weight
440.900000
Exact Mass
440.080885
SMILES
CCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)OC
InChI
InChI=1S/C19H21ClN2O6S/c1-3-28-19(24)22-29(25,26)15-7-4-13(5-8-15)10-11-21-18(23)16-12-14(20)6-9-17(16)27-2/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKey
QQBBSWCTNXVUBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.83
TPSA
110.8

LogP / Solubility

WLOGP
2.76
MLOGP
2.45
XLogP3
3.4
Consensus LogP
2.87
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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
Yes
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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