5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide

C10H16BrN3O2S2 — CID 63962280

IUPAC5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCSC
InChIInChI=1S/C10H16BrN3O2S2/c1-3-12-10-9(6-8(11)7-13-10)18(15,16)14-4-5-17-2/h6-7,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyFIJLPPARBNTPRR-UHFFFAOYSA-N
MW354.30 g/mol
LogP1.92
Rot. Bonds7

About 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide (PubChem CID 63962280) has the molecular formula C10H16BrN3O2S2 and a molecular weight of 354.30 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
PubChem CID63962280
Molecular FormulaC10H16BrN3O2S2
Molecular Weight354.30 g/mol
Exact Mass352.99
IUPAC Name5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCSC
InChIInChI=1S/C10H16BrN3O2S2/c1-3-12-10-9(6-8(11)7-13-10)18(15,16)14-4-5-17-2/h6-7,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyFIJLPPARBNTPRR-UHFFFAOYSA-N
XLogP1.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579
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-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019
5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407836
2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
CID 104922252
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62163667

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide (CID 63962280) is 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NCCSC.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The InChIKey is FIJLPPARBNTPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S2/c1-3-12-10-9(6-8(11)7-13-10)18(15,16)14-4-5-17-2/h6-7,14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide has a molecular weight of 354.30 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63962280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).