CAS RN: 946387-07-1

2,4-dichloro-N-isopropyl-N-[2-(isopropylamino)ethyl]benzenesulfonamide

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  • Product code: starshine_CAS946387-07-1
  • Purity/Analytical Methods: >99.0%
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946387-07-1 / 2,4-dichloro-N-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

Standard CAS: 946387-07-1 Multi CAS: No

Basic Information

CAS
946387-07-1
Multi CAS
No
Molecular Formula
C14H22CL2N2O2S
Molecular Weight
353.300000
Exact Mass
352.077905
InChI
InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
InChIKey
IHYZMEAZAIFMTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.63
TPSA
49.41

LogP / Solubility

WLOGP
3.39
MLOGP
3
XLogP3
3.5
Consensus LogP
3.3
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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