5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide

C10H12BrN5O3S — CID 106407836

IUPAC5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C10H12BrN5O3S/c1-2-12-10-8(3-7(11)4-13-10)20(17,18)15-5-9-14-6-19-16-9/h3-4,6,15H,2,5H2,1H3,(H,12,13)
InChIKeyMPTUDOPVYJQZGC-UHFFFAOYSA-N
MW362.21 g/mol
LogP1.14
Rot. Bonds6

About 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106407836) has the molecular formula C10H12BrN5O3S and a molecular weight of 362.21 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID106407836
Molecular FormulaC10H12BrN5O3S
Molecular Weight362.21 g/mol
Exact Mass360.98
IUPAC Name5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C10H12BrN5O3S/c1-2-12-10-8(3-7(11)4-13-10)20(17,18)15-5-9-14-6-19-16-9/h3-4,6,15H,2,5H2,1H3,(H,12,13)
InChIKeyMPTUDOPVYJQZGC-UHFFFAOYSA-N
XLogP1.14
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
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-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
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-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403591
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide (CID 106407836) is 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NCc1ncon1.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is MPTUDOPVYJQZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O3S/c1-2-12-10-8(3-7(11)4-13-10)20(17,18)15-5-9-14-6-19-16-9/h3-4,6,15H,2,5H2,1H3,(H,12,13).
What are the key properties of 5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 362.21 g/mol, XLogP of 1.14, 6 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-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106407836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).