5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide

C11H14BrClN2O2S — CID 115767086

IUPAC5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1Cl)C1CCC1
InChIInChI=1S/C11H14BrClN2O2S/c1-7(8-3-2-4-8)15-18(16,17)10-5-9(12)6-14-11(10)13/h5-8,15H,2-4H2,1H3
InChIKeyVFSUGZULECFBLQ-UHFFFAOYSA-N
MW353.67 g/mol
LogP2.96
Rot. Bonds4

About 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide (PubChem CID 115767086) has the molecular formula C11H14BrClN2O2S and a molecular weight of 353.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide
PubChem CID115767086
Molecular FormulaC11H14BrClN2O2S
Molecular Weight353.67 g/mol
Exact Mass351.96
IUPAC Name5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1Cl)C1CCC1
InChIInChI=1S/C11H14BrClN2O2S/c1-7(8-3-2-4-8)15-18(16,17)10-5-9(12)6-14-11(10)13/h5-8,15H,2-4H2,1H3
InChIKeyVFSUGZULECFBLQ-UHFFFAOYSA-N
XLogP2.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.67
LogP ≤ 52.96
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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Related Compounds

5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
5-bromo-2-chloro-N-(4-hydroxypentan-2-yl)pyridine-3-sulfonamide
CID 113376188
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779
5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 115672191
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63494942
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115899532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide (CID 115767086) is 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cc(Br)cnc1Cl)C1CCC1.
What is the InChIKey of 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide?
The InChIKey is VFSUGZULECFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S/c1-7(8-3-2-4-8)15-18(16,17)10-5-9(12)6-14-11(10)13/h5-8,15H,2-4H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide has a molecular weight of 353.67 g/mol, XLogP of 2.96, 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-(1-cyclobutylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115767086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).