5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide

C10H12BrClN2O2S — CID 103526952

IUPAC5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O2S/c1-7(2)3-4-14-17(15,16)9-5-8(11)6-13-10(9)12/h3,5-6,14H,4H2,1-2H3
InChIKeyHBFYOEWADJLWNR-UHFFFAOYSA-N
MW339.64 g/mol
LogP2.74
Rot. Bonds4

About 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide (PubChem CID 103526952) has the molecular formula C10H12BrClN2O2S and a molecular weight of 339.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
PubChem CID103526952
Molecular FormulaC10H12BrClN2O2S
Molecular Weight339.64 g/mol
Exact Mass337.95
IUPAC Name5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O2S/c1-7(2)3-4-14-17(15,16)9-5-8(11)6-13-10(9)12/h3,5-6,14H,4H2,1-2H3
InChIKeyHBFYOEWADJLWNR-UHFFFAOYSA-N
XLogP2.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 52.74
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

methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313207
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 114009086
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63494942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide (CID 103526952) is 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide is CC(C)=CCNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide?
The InChIKey is HBFYOEWADJLWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2S/c1-7(2)3-4-14-17(15,16)9-5-8(11)6-13-10(9)12/h3,5-6,14H,4H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide has a molecular weight of 339.64 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103526952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).