CAS RN: 1155080-09-3
2-chloropyrimidine-5-sulfonamide
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.20250315 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1155080-09-3
- Purity/Analytical Methods: >99.0%
1155080-09-3 / 2-chloropyrimidine-5-sulfonamide
2-chloropyrimidine-5-sulfonamide | 5-Pyrimidinesulfonamide, 2-chloro- | MFCD12174448
Basic Information
CAS
1155080-09-3
Multi CAS
No
Molecular Formula
C4H4ClN3O2S
Molecular Weight
193.610000
Exact Mass
192.971275
SMILES
C1=C(C=NC(=N1)Cl)S(=O)(=O)N
InChI
InChI=1S/C4H4ClN3O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H,(H2,6,9,10)
InChIKey
GWBIDJWAGDFKQL-UHFFFAOYSA-N
Synonyms
2-chloropyrimidine-5-sulfonamide
5-Pyrimidinesulfonamide, 2-chloro-
MFCD12174448
SCHEMBL26597129
AKOS009492526
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.42
TPSA
85.94
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.3
Consensus LogP
-0.24
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06
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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