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5-bromo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide

HCID 978801
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Basic information

CAS
303031-64-3
Standard SMILES
NS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIKey
WKBMXPZHJADWKV-UHFFFAOYSA-N
Molecular formula
C12H10BrN3O3S
Average molar mass
356.2 g/mol
Monoisotopic mass
354.96262

Names & identifiers

Preferred name
5-bromo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
IUPAC
5-bromo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
English name
5-bromo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
Molecular formula
C12H10BrN3O3S
Molecular weight
356.2

Names & synonyms

5-bromo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide303031-64-3N-[4-(aminosulfonyl)phenyl]-5-bromonicotinamide(5-bromo(3-pyridyl))-N-(4-sulfamoylphenyl)carboxamideCBMicro_046832Oprea1_728893SCHEMBL6312114STK961597AKOS002264530ST0302305-bromo-N-(4-sulfamoylphenyl)nicotinamideBIM-0047016.P001
Show more names
N-(4-(AMINOSULFONYL)PHENYL)-5-BROMONICOTINAMIDE3-Pyridinecarboxamide, N-[4-(aminosulfonyl)phenyl]-5-bromo-
ST50189164AE-641/14043015SR-01000438120SR-01000438120-1

Database identifiers

CAS
303031-64-3
PubChem CID
978801
EC Number
144-800-9

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
443

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Related reactions

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Compound notes

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