5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide

C10H12BrClN2O2S — CID 115672191

IUPAC5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2cc(Br)cnc2Cl)C1
InChIInChI=1S/C10H12BrClN2O2S/c1-6-2-8(3-6)14-17(15,16)9-4-7(11)5-13-10(9)12/h4-6,8,14H,2-3H2,1H3
InChIKeySAFSFTZRPDHCNZ-UHFFFAOYSA-N
MW339.64 g/mol
LogP2.57
Rot. Bonds3

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

5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide (PubChem CID 115672191) has the molecular formula C10H12BrClN2O2S and a molecular weight of 339.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
PubChem CID115672191
Molecular FormulaC10H12BrClN2O2S
Molecular Weight339.64 g/mol
Exact Mass337.95
IUPAC Name5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2cc(Br)cnc2Cl)C1
InChIInChI=1S/C10H12BrClN2O2S/c1-6-2-8(3-6)14-17(15,16)9-4-7(11)5-13-10(9)12/h4-6,8,14H,2-3H2,1H3
InChIKeySAFSFTZRPDHCNZ-UHFFFAOYSA-N
XLogP2.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 52.57
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-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide
CID 115767086
5-bromo-2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 61298927
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 160805742
5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide
CID 158233304
5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253
5-bromo-2-chloro-N-(2-oxoazepan-3-yl)pyridine-3-sulfonamide
CID 61060873
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63494942
5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine
CID 62332316
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide (CID 115672191) is 5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide is CC1CC(NS(=O)(=O)c2cc(Br)cnc2Cl)C1.
What is the InChIKey of 5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide?
The InChIKey is SAFSFTZRPDHCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2S/c1-6-2-8(3-6)14-17(15,16)9-4-7(11)5-13-10(9)12/h4-6,8,14H,2-3H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide has a molecular weight of 339.64 g/mol, XLogP of 2.57, 3 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-methylcyclobutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115672191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).