5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide

C11H13BrN4O3S — CID 65480779

IUPAC5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C11H13BrN4O3S/c1-6-7(2)15-19-11(6)16-20(17,18)9-4-8(12)5-14-10(9)13-3/h4-5,16H,1-3H3,(H,13,14)
InChIKeyJHJYAWRZVJPSRZ-UHFFFAOYSA-N
MW361.22 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 65480779) has the molecular formula C11H13BrN4O3S and a molecular weight of 361.22 g/mol. Its IUPAC name is 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID65480779
Molecular FormulaC11H13BrN4O3S
Molecular Weight361.22 g/mol
Exact Mass359.99
IUPAC Name5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C11H13BrN4O3S/c1-6-7(2)15-19-11(6)16-20(17,18)9-4-8(12)5-14-10(9)13-3/h4-5,16H,1-3H3,(H,13,14)
InChIKeyJHJYAWRZVJPSRZ-UHFFFAOYSA-N
XLogP2.29
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide (CID 65480779) is 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)Nc1onc(C)c1C.
What is the InChIKey of 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is JHJYAWRZVJPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O3S/c1-6-7(2)15-19-11(6)16-20(17,18)9-4-8(12)5-14-10(9)13-3/h4-5,16H,1-3H3,(H,13,14).
What are the key properties of 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 361.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 65480779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).