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CAS 354128-89-5 4-chloro-N-cyclopropylbenzenesulfonamide molecular structure lightbox
CAS RN: 354128-89-5

4-chloro-N-cyclopropylbenzenesulfonamide

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 1g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260210 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260429 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS354128-89-5
  • Purity/Analytical Methods: >99.0%
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354128-89-5 / 4-chloro-N-cyclopropylbenzenesulfonamide

Standard CAS: 354128-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
354128-89-5
Multi CAS
No
Molecular Formula
C9H10CLNO2S
Molecular Weight
231.700000
Exact Mass
231.012077
InChI
InChI=1S/C9H10ClNO2S/c10-7-1-5-9(6-2-7)14(12,13)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2
InChIKey
BAOROYZLWUOHLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.8
TPSA
46.17

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
2.1
Consensus LogP
1.82
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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