6-bromo-N-prop-2-enylpyridine-3-sulfonamide

C8H9BrN2O2S — CID 82093746

IUPAC6-bromo-N-prop-2-enylpyridine-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Br)nc1
InChIInChI=1S/C8H9BrN2O2S/c1-2-5-11-14(12,13)7-3-4-8(9)10-6-7/h2-4,6,11H,1,5H2
InChIKeyRBHXRVYAJCTLEE-UHFFFAOYSA-N
MW277.14 g/mol
LogP1.31
Rot. Bonds4

About 6-bromo-N-prop-2-enylpyridine-3-sulfonamide

6-bromo-N-prop-2-enylpyridine-3-sulfonamide (PubChem CID 82093746) has the molecular formula C8H9BrN2O2S and a molecular weight of 277.14 g/mol. Its IUPAC name is 6-bromo-N-prop-2-enylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-prop-2-enylpyridine-3-sulfonamide
PubChem CID82093746
Molecular FormulaC8H9BrN2O2S
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC Name6-bromo-N-prop-2-enylpyridine-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Br)nc1
InChIInChI=1S/C8H9BrN2O2S/c1-2-5-11-14(12,13)7-3-4-8(9)10-6-7/h2-4,6,11H,1,5H2
InChIKeyRBHXRVYAJCTLEE-UHFFFAOYSA-N
XLogP1.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-N-(2-pyridyl)benzenesulfonamide
CID 786085
Pyridine sulfonamide
CID 12000791
Pyridine-3-sulfonamide
CID 232710
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
Benzenesulfonamide, p-bromo-N-(3-pyridyl)-
CID 199072
4-(3-Bromoanilino)-3-pyridinesulfonamide
CID 901993
4-bromo-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 823268
5-bromo-2-fluoro-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 1291234
4-bromo-N-[2-(2-pyridinylthio)ethyl]benzenesulfonamide
CID 2059858
Pyridine-3-sulfonyl chloride
CID 3164136
Pyridine-4-sulfonamide
CID 12383449

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-prop-2-enylpyridine-3-sulfonamide?
The IUPAC name of 6-bromo-N-prop-2-enylpyridine-3-sulfonamide (CID 82093746) is 6-bromo-N-prop-2-enylpyridine-3-sulfonamide.
What is the SMILES notation for 6-bromo-N-prop-2-enylpyridine-3-sulfonamide?
The canonical SMILES for 6-bromo-N-prop-2-enylpyridine-3-sulfonamide is C=CCNS(=O)(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-prop-2-enylpyridine-3-sulfonamide?
The InChIKey is RBHXRVYAJCTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c1-2-5-11-14(12,13)7-3-4-8(9)10-6-7/h2-4,6,11H,1,5H2.
What are the key properties of 6-bromo-N-prop-2-enylpyridine-3-sulfonamide?
6-bromo-N-prop-2-enylpyridine-3-sulfonamide has a molecular weight of 277.14 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-prop-2-enylpyridine-3-sulfonamide is sourced from PubChem (CID 82093746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).