5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide

C8H12BrN3O2S — CID 62148821

IUPAC5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC
InChIInChI=1S/C8H12BrN3O2S/c1-3-11-8-7(15(13,14)10-2)4-6(9)5-12-8/h4-5,10H,3H2,1-2H3,(H,11,12)
InChIKeyFJWJBKQVZPXXHF-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.18
Rot. Bonds4

About 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide (PubChem CID 62148821) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
PubChem CID62148821
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC Name5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC
InChIInChI=1S/C8H12BrN3O2S/c1-3-11-8-7(15(13,14)10-2)4-6(9)5-12-8/h4-5,10H,3H2,1-2H3,(H,11,12)
InChIKeyFJWJBKQVZPXXHF-UHFFFAOYSA-N
XLogP1.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579
2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide
CID 62159404
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62641481
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 62143490
5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217981
5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
CID 116787848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide (CID 62148821) is 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NC.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
The InChIKey is FJWJBKQVZPXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c1-3-11-8-7(15(13,14)10-2)4-6(9)5-12-8/h4-5,10H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide has a molecular weight of 294.17 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62148821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).