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CAS 105771-36-6 N-[3-(1-IMidazolyl)propyl]-4-chlorobenzenesulfonaMide molecular structure lightbox
CAS RN: 105771-36-6

N-[3-(1-IMidazolyl)propyl]-4-chlorobenzenesulfonaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-007483
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 105771-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry

105771-36-6 / 4-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

N-[3-(1-Imidazolyl)propyl]-4-chlorobenzenesulfonamide | MFCD01022144 | 4-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

Standard CAS: 105771-36-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105771-36-6
Multi CAS
Yes
Molecular Formula
C12H14ClN3O2S
Molecular Weight
299.780000
Exact Mass
299.049526
SMILES
C1=CC(=CC=C1S(=O)(=O)NCCCN2C=CN=C2)Cl
InChI
InChI=1S/C12H14ClN3O2S/c13-11-2-4-12(5-3-11)19(17,18)15-6-1-8-16-9-7-14-10-16/h2-5,7,9-10,15H,1,6,8H2
InChIKey
UZNJVWRQQSQPPH-UHFFFAOYSA-N
Synonyms
N-[3-(1-Imidazolyl)propyl]-4-chlorobenzenesulfonamide MFCD01022144 4-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]Benzenesulfonamide Benzenesulfonamide, 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]-

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.48
TPSA
63.99

LogP / Solubility

WLOGP
1.91
MLOGP
1.69
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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