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

C10H14BrClN2O2S — CID 62693299

IUPAC5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
SMILESCCC(C)CNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-3-7(2)5-14-17(15,16)9-4-8(11)6-13-10(9)12/h4,6-7,14H,3,5H2,1-2H3
InChIKeyJWZKFAFLANZXPD-UHFFFAOYSA-N
MW341.66 g/mol
LogP2.82
Rot. Bonds5

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

5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide (PubChem CID 62693299) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
PubChem CID62693299
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
SMILESCCC(C)CNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-3-7(2)5-14-17(15,16)9-4-8(11)6-13-10(9)12/h4,6-7,14H,3,5H2,1-2H3
InChIKeyJWZKFAFLANZXPD-UHFFFAOYSA-N
XLogP2.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 52.82
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-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 61072361
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115899532
5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide
CID 106898775
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide (CID 62693299) is 5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide is CCC(C)CNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide?
The InChIKey is JWZKFAFLANZXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S/c1-3-7(2)5-14-17(15,16)9-4-8(11)6-13-10(9)12/h4,6-7,14H,3,5H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide has a molecular weight of 341.66 g/mol, XLogP of 2.82, 5 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-(2-methylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62693299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).