5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide

C11H14BrN5O3S — CID 106408019

IUPAC5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCc1ncon1
InChIInChI=1S/C11H14BrN5O3S/c1-2-13-11-9(5-8(12)6-14-11)21(18,19)16-4-3-10-15-7-20-17-10/h5-7,16H,2-4H2,1H3,(H,13,14)
InChIKeyNRZPOHDQNYAPBR-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.18
Rot. Bonds7

About 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106408019) has the molecular formula C11H14BrN5O3S and a molecular weight of 376.24 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106408019
Molecular FormulaC11H14BrN5O3S
Molecular Weight376.24 g/mol
Exact Mass375.00
IUPAC Name5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCc1ncon1
InChIInChI=1S/C11H14BrN5O3S/c1-2-13-11-9(5-8(12)6-14-11)21(18,19)16-4-3-10-15-7-20-17-10/h5-7,16H,2-4H2,1H3,(H,13,14)
InChIKeyNRZPOHDQNYAPBR-UHFFFAOYSA-N
XLogP1.18
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407836
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
3-amino-5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392493
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-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62641481
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106408027
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
CID 106410644

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 106408019) is 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NCCc1ncon1.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is NRZPOHDQNYAPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O3S/c1-2-13-11-9(5-8(12)6-14-11)21(18,19)16-4-3-10-15-7-20-17-10/h5-7,16H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 376.24 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106408019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).