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CAS 1353978-73-0 3-BroMo-N-Methyl-N-piperidin-4-yl-benzenesulfonaMide hydrochloride molecular structure lightbox
CAS RN: 1353978-73-0

3-BroMo-N-Methyl-N-piperidin-4-yl-benzenesulfonaMide hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353978-73-0
  • Purity/Analytical Methods: >99.0%
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1353978-73-0 / 3-bromo-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

Standard CAS: 1353978-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353978-73-0
Multi CAS
No
Molecular Formula
C12H18BrClN2O2S
Molecular Weight
369.710000
Exact Mass
367.996090
SMILES
CN(C1CCNCC1)S(=O)(=O)C2=CC(=CC=C2)Br.Cl
InChI
InChI=1S/C12H17BrN2O2S.ClH/c1-15(11-5-7-14-8-6-11)18(16,17)12-4-2-3-10(13)9-12;/h2-4,9,11,14H,5-8H2,1H3;1H
InChIKey
CHQUJFYGOJNLBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.23
TPSA
49.41

LogP / Solubility

WLOGP
2.24
MLOGP
1.99
XLogP3
2.24
Consensus LogP
2.16
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
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
No
Log Kp (skin permeation)
-3.38

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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