2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide

C10H16BrN3O2S — CID 22515896

IUPAC2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H16BrN3O2S/c1-4-10(2,3)14-17(15,16)8-5-7(11)6-13-9(8)12/h5-6,14H,4H2,1-3H3,(H2,12,13)
InChIKeyMNUGQHBZHWBGGR-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 22515896) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID22515896
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC Name2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H16BrN3O2S/c1-4-10(2,3)14-17(15,16)8-5-7(11)6-13-9(8)12/h5-6,14H,4H2,1-3H3,(H2,12,13)
InChIKeyMNUGQHBZHWBGGR-UHFFFAOYSA-N
XLogP1.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide (CID 22515896) is 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is MNUGQHBZHWBGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-4-10(2,3)14-17(15,16)8-5-7(11)6-13-9(8)12/h5-6,14H,4H2,1-3H3,(H2,12,13).
What are the key properties of 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 322.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).