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CAS 93101-02-1 BenzenesulfonaMide, 4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylid ene]- molecular structure lightbox
CAS RN: 93101-02-1

BenzenesulfonaMide, 4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylid ene]-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS93101-02-1
  • Purity/Analytical Methods: >99.0%
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93101-02-1 / (NE)-4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene]benzenesulfonamide

Standard CAS: 93101-02-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93101-02-1
Multi CAS
Yes
Molecular Formula
C19H20CLN3O4S
Molecular Weight
421.900000
Exact Mass
421.086305
InChI
InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2/b21-19+
InChIKey
BKRSVROQVRTSND-XUTLUUPISA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
108.3
TPSA
92.88

LogP / Solubility

WLOGP
4.06
MLOGP
3.6
XLogP3
4
Consensus LogP
3.89
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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