5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide

C10H15BrN2O3S — CID 81062093

IUPAC5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-3-16-5-4-13(2)17(14,15)10-6-9(11)7-12-8-10/h6-8H,3-5H2,1-2H3
InChIKeyBRTOPXNEGREPFP-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.50
Rot. Bonds6

About 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide

5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide (PubChem CID 81062093) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide
PubChem CID81062093
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-3-16-5-4-13(2)17(14,15)10-6-9(11)7-12-8-10/h6-8H,3-5H2,1-2H3
InChIKeyBRTOPXNEGREPFP-UHFFFAOYSA-N
XLogP1.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide (CID 81062093) is 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide is CCOCCN(C)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is BRTOPXNEGREPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-3-16-5-4-13(2)17(14,15)10-6-9(11)7-12-8-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide?
5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 81062093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).