5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide

C13H20BrClN2O2S — CID 61060925

IUPAC5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide
SMILESCCCCN(C(C)CC)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H20BrClN2O2S/c1-4-6-7-17(10(3)5-2)20(18,19)12-8-11(14)9-16-13(12)15/h8-10H,4-7H2,1-3H3
InChIKeyNWDPXWHFENQIGG-UHFFFAOYSA-N
MW383.74 g/mol
LogP4.09
Rot. Bonds7

About 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide

5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide (PubChem CID 61060925) has the molecular formula C13H20BrClN2O2S and a molecular weight of 383.74 g/mol. Its IUPAC name is 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide
PubChem CID61060925
Molecular FormulaC13H20BrClN2O2S
Molecular Weight383.74 g/mol
Exact Mass382.01
IUPAC Name5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide
SMILESCCCCN(C(C)CC)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H20BrClN2O2S/c1-4-6-7-17(10(3)5-2)20(18,19)12-8-11(14)9-16-13(12)15/h8-10H,4-7H2,1-3H3
InChIKeyNWDPXWHFENQIGG-UHFFFAOYSA-N
XLogP4.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 54.09
H-Bond Donors ≤ 50
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-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61299294
5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 54978681
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779
5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 61061224
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-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide (CID 61060925) is 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide is CCCCN(C(C)CC)S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide?
The InChIKey is NWDPXWHFENQIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2O2S/c1-4-6-7-17(10(3)5-2)20(18,19)12-8-11(14)9-16-13(12)15/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide?
5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide has a molecular weight of 383.74 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide is sourced from PubChem (CID 61060925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).