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

C10H14BrClN2O2S2 — CID 115604204

IUPAC5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O2S2/c1-7(17-2)3-4-14-18(15,16)9-5-8(11)6-13-10(9)12/h5-7,14H,3-4H2,1-2H3
InChIKeyNCTNPUOJPIKPMG-UHFFFAOYSA-N
MW373.73 g/mol
LogP2.92
Rot. Bonds6

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

5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide (PubChem CID 115604204) has the molecular formula C10H14BrClN2O2S2 and a molecular weight of 373.73 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
PubChem CID115604204
Molecular FormulaC10H14BrClN2O2S2
Molecular Weight373.73 g/mol
Exact Mass371.94
IUPAC Name5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O2S2/c1-7(17-2)3-4-14-18(15,16)9-5-8(11)6-13-10(9)12/h5-7,14H,3-4H2,1-2H3
InChIKeyNCTNPUOJPIKPMG-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 61072361
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-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide (CID 115604204) is 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide is CSC(C)CCNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide?
The InChIKey is NCTNPUOJPIKPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S2/c1-7(17-2)3-4-14-18(15,16)9-5-8(11)6-13-10(9)12/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide has a molecular weight of 373.73 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115604204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).