5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

C11H13BrF3N3O2S — CID 106217981

IUPAC5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H13BrF3N3O2S/c1-2-16-9-8(5-7(12)6-17-9)21(19,20)18-10(3-4-10)11(13,14)15/h5-6,18H,2-4H2,1H3,(H,16,17)
InChIKeyZPFAQIFTJHCWEL-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.65
Rot. Bonds5

About 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (PubChem CID 106217981) has the molecular formula C11H13BrF3N3O2S and a molecular weight of 388.21 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
PubChem CID106217981
Molecular FormulaC11H13BrF3N3O2S
Molecular Weight388.21 g/mol
Exact Mass386.99
IUPAC Name5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H13BrF3N3O2S/c1-2-16-9-8(5-7(12)6-17-9)21(19,20)18-10(3-4-10)11(13,14)15/h5-6,18H,2-4H2,1H3,(H,16,17)
InChIKeyZPFAQIFTJHCWEL-UHFFFAOYSA-N
XLogP2.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106211284
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
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
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 62143490
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-hydrazinyl-N-(1-methylcyclopentyl)pyridine-3-sulfonamide
CID 64687857
5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107420521

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (CID 106217981) is 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The InChIKey is ZPFAQIFTJHCWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O2S/c1-2-16-9-8(5-7(12)6-17-9)21(19,20)18-10(3-4-10)11(13,14)15/h5-6,18H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide has a molecular weight of 388.21 g/mol, XLogP of 2.65, 5 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-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106217981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).