CAS RN: 189063-21-6
1H-Pyrrole-3-sulfonamide(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS189063-21-6
- Purity/Analytical Methods: >99.0%
189063-21-6 / 1H-pyrrole-3-sulfonamide
Basic Information
CAS
189063-21-6
Multi CAS
No
Molecular Formula
C4H6N2O2S
Molecular Weight
146.170000
Exact Mass
146.014999
SMILES
C1=CNC=C1S(=O)(=O)N
InChI
InChI=1S/C4H6N2O2S/c5-9(7,8)4-1-2-6-3-4/h1-3,6H,(H2,5,7,8)
InChIKey
SSKNVFBNMYLIHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.17
TPSA
75.95
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.3
XLogP3
-0.7
Consensus LogP
-0.45
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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