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CAS 2006277-15-0 4-(2-Bromophenyl)-N,N-dimethylimidazole-1-sulfonamide molecular structure lightbox
CAS RN: 2006277-15-0

4-(2-Bromophenyl)-N,N-dimethylimidazole-1-sulfonamide

  • Product code: SSC-094470
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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: 1g, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 2006277-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry

2006277-15-0 / 4-(2-bromophenyl)-N,N-dimethylimidazole-1-sulfonamide

Standard CAS: 2006277-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-15-0
Multi CAS
No
Molecular Formula
C11H12BrN3O2S
Molecular Weight
330.200000
Exact Mass
328.983360
SMILES
CN(C)S(=O)(=O)N1C=C(N=C1)C2=CC=CC=C2Br
InChI
InChI=1S/C11H12BrN3O2S/c1-14(2)18(16,17)15-7-11(13-8-15)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKey
UBLQJVFXKYZCCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
73.37
TPSA
55.2

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-3.34

Drug-likeness / Medicinal Chemistry

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

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