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CAS 1328360-41-3 N-(6-Bromo-3-pyridyl)methanesulfonamide molecular structure lightbox
CAS RN: 1328360-41-3

N-(6-Bromo-3-pyridyl)methanesulfonamide

  • Product code: SSC-039573
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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, 5g, 0.1g, 1g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 1328360-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
10g ≥97% 1 In Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

1328360-41-3 / N-(6-bromo-3-pyridinyl)methanesulfonamide

Standard CAS: 1328360-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1328360-41-3
Multi CAS
No
Molecular Formula
C6H7BrN2O2S
Molecular Weight
251.100000
Exact Mass
249.941160
SMILES
CS(=O)(=O)NC1=CN=C(C=C1)Br
InChI
InChI=1S/C6H7BrN2O2S/c1-12(10,11)9-5-2-3-6(7)8-4-5/h2-4,9H,1H3
InChIKey
GVIOYWCQXGRYBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.4
TPSA
59.06

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
0.8
Consensus LogP
1.03
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

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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