N-(2-bromo-4-pyridinyl)propane-2-sulfonamide

C8H11BrN2O2S — CID 130699381

IUPACN-(2-bromo-4-pyridinyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C8H11BrN2O2S/c1-6(2)14(12,13)11-7-3-4-10-8(9)5-7/h3-6H,1-2H3,(H,10,11)
InChIKeyAEWQOCOVGKLSNR-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.99
Rot. Bonds3

About N-(2-bromo-4-pyridinyl)propane-2-sulfonamide

N-(2-bromo-4-pyridinyl)propane-2-sulfonamide (PubChem CID 130699381) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)propane-2-sulfonamide
PubChem CID130699381
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC NameN-(2-bromo-4-pyridinyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C8H11BrN2O2S/c1-6(2)14(12,13)11-7-3-4-10-8(9)5-7/h3-6H,1-2H3,(H,10,11)
InChIKeyAEWQOCOVGKLSNR-UHFFFAOYSA-N
XLogP1.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)propane-2-sulfonamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)propane-2-sulfonamide (CID 130699381) is N-(2-bromo-4-pyridinyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)propane-2-sulfonamide?
The InChIKey is AEWQOCOVGKLSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-6(2)14(12,13)11-7-3-4-10-8(9)5-7/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(2-bromo-4-pyridinyl)propane-2-sulfonamide?
N-(2-bromo-4-pyridinyl)propane-2-sulfonamide has a molecular weight of 279.16 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)propane-2-sulfonamide is sourced from PubChem (CID 130699381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).