2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide

C13H14BrN3O2S — CID 6623748

IUPAC2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C13H14BrN3O2S/c14-11-8-12(13(15)16-9-11)20(18,19)17-7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H2,15,16)
InChIKeyMQJOTNMMOVHXOP-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.95
Rot. Bonds5

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

2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide (PubChem CID 6623748) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide
PubChem CID6623748
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C13H14BrN3O2S/c14-11-8-12(13(15)16-9-11)20(18,19)17-7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H2,15,16)
InChIKeyMQJOTNMMOVHXOP-UHFFFAOYSA-N
XLogP1.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.95
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-phenylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide (CID 6623748) is 2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide?
The InChIKey is MQJOTNMMOVHXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c14-11-8-12(13(15)16-9-11)20(18,19)17-7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 1.95, 5 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-phenylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 6623748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).