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: 0.25g, 1g, 5g
- 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.
26118-68-3 / N-(2-methylpropyl)sulfamoyl chloride
Basic Information
CAS
26118-68-3
Multi CAS
No
Molecular Formula
C4H10ClNO2S
Molecular Weight
171.650000
Exact Mass
171.012077
SMILES
CC(C)CNS(=O)(=O)Cl
InChI
InChI=1S/C4H10ClNO2S/c1-4(2)3-6-9(5,7)8/h4,6H,3H2,1-2H3
InChIKey
POHNQUDMMNHRJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.61
TPSA
46.17
LogP / Solubility
WLOGP
0.72
MLOGP
0.63
XLogP3
1.4
Consensus LogP
0.92
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
