![CAS 383147-41-9 4-METHOXY-N-[4-(1H-PYRROL-1-YL)PHENYL]BENZENESULFONAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8360708(1).gif)
CAS RN: 383147-41-9
4-METHOXY-N-[4-(1H-PYRROL-1-YL)PHENYL]BENZENESULFONAMIDE
- Product code: SSC-145949
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
383147-41-9 / 4-methoxy-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide
Basic Information
CAS
383147-41-9
Multi CAS
No
Molecular Formula
C17H16N2O3S
Molecular Weight
328.400000
Exact Mass
328.088164
InChI
InChI=1S/C17H16N2O3S/c1-22-16-8-10-17(11-9-16)23(20,21)18-14-4-6-15(7-5-14)19-12-2-3-13-19/h2-13,18H,1H3
InChIKey
ZOLHTIXDWSGWAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.57
TPSA
60.33
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
2.6
Consensus LogP
2.93
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
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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