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

C10H12BrN5O3S — CID 106407956

IUPAC5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C10H12BrN5O3S/c1-12-10-8(4-7(11)5-13-10)20(17,18)16-3-2-9-14-6-15-19-9/h4-6,16H,2-3H2,1H3,(H,12,13)
InChIKeySDUJKPZFPHZTMU-UHFFFAOYSA-N
MW362.21 g/mol
LogP0.79
Rot. Bonds6

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

5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106407956) has the molecular formula C10H12BrN5O3S and a molecular weight of 362.21 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106407956
Molecular FormulaC10H12BrN5O3S
Molecular Weight362.21 g/mol
Exact Mass360.98
IUPAC Name5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C10H12BrN5O3S/c1-12-10-8(4-7(11)5-13-10)20(17,18)16-3-2-9-14-6-15-19-9/h4-6,16H,2-3H2,1H3,(H,12,13)
InChIKeySDUJKPZFPHZTMU-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744466
5-bromo-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744455
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685572
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218
2-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106411220
3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392329
5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 104924719
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 63473639
5-(aminomethyl)-3-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411171
5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 79558831
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide (CID 106407956) is 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NCCc1ncno1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is SDUJKPZFPHZTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O3S/c1-12-10-8(4-7(11)5-13-10)20(17,18)16-3-2-9-14-6-15-19-9/h4-6,16H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 362.21 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106407956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).