![CAS 16673-34-0 4-[2-(5-Chloro-2-methoxybenzamido)ethyl]phenylsulphonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16673-34-0.png)
CAS RN: 16673-34-0
4-[2-(5-Chloro-2-methoxybenzamido)ethyl]phenylsulphonamide
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251028 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS16673-34-0
- Purity/Analytical Methods: >99.0%
16673-34-0 / 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Basic Information
CAS
16673-34-0
Multi CAS
No
Molecular Formula
C16H17ClN2O4S
Molecular Weight
368.800000
Exact Mass
368.059756
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKey
KVWWTCSJLGHLRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.86
TPSA
98.49
LogP / Solubility
WLOGP
1.97
MLOGP
1.75
XLogP3
2.4
Consensus LogP
2.04
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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