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

C9H14BrN3O3S — CID 62164202

IUPAC2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H14BrN3O3S/c1-2-16-4-3-13-17(14,15)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12)
InChIKeyPVBZWWUPRBTQJC-UHFFFAOYSA-N
MW324.20 g/mol
LogP0.74
Rot. Bonds6

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

2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide (PubChem CID 62164202) has the molecular formula C9H14BrN3O3S and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
PubChem CID62164202
Molecular FormulaC9H14BrN3O3S
Molecular Weight324.20 g/mol
Exact Mass322.99
IUPAC Name2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H14BrN3O3S/c1-2-16-4-3-13-17(14,15)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12)
InChIKeyPVBZWWUPRBTQJC-UHFFFAOYSA-N
XLogP0.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62163667
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 22515915
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
CID 104922252
3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114587
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 55102157
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 46272055
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide (CID 62164202) is 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide is CCOCCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide?
The InChIKey is PVBZWWUPRBTQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O3S/c1-2-16-4-3-13-17(14,15)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12).
What are the key properties of 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide has a molecular weight of 324.20 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62164202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).