N-(6-bromo-2-pyridinyl)butane-1-sulfonamide

C9H13BrN2O2S — CID 43520639

IUPACN-(6-bromo-2-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O2S/c1-2-3-7-15(13,14)12-9-6-4-5-8(10)11-9/h4-6H,2-3,7H2,1H3,(H,11,12)
InChIKeyWHGGNYRRIRYOQS-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.39
Rot. Bonds5

About N-(6-bromo-2-pyridinyl)butane-1-sulfonamide

N-(6-bromo-2-pyridinyl)butane-1-sulfonamide (PubChem CID 43520639) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)butane-1-sulfonamide
PubChem CID43520639
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC NameN-(6-bromo-2-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O2S/c1-2-3-7-15(13,14)12-9-6-4-5-8(10)11-9/h4-6H,2-3,7H2,1H3,(H,11,12)
InChIKeyWHGGNYRRIRYOQS-UHFFFAOYSA-N
XLogP2.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.39
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

2-Amino-6-bromopyridine
CID 300809
4-Amino-N-(2-amino-6-bromo-pyridin-4-yl)-benzenesulfonamide
CID 44328120
N-(5-bromopyridin-2-yl)ethanesulfonamide
CID 726086
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
2-Amino-6-bromopyridine-3-sulfonamide
CID 137935481
N-(6-amino-pyridin-2-yl)-4-bromo-benzenesulfonamide
CID 69787872
N-(5-bromo-6-methyl-2-pyridinyl)-2-methoxyethanesulfonamide
CID 71869236
4-Bromo-N-(6-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
CID 58988141
4-bromo-3-fluoro-N-(6-methyl-pyridin-2-yl)-benzenesulfonamide
CID 69641085
4-Bromo-2-fluoro-N-(6-methyl-pyridin-2-yl)-benzenesulfonamide
CID 69641218
N-(3-bromopyridin-2-yl)-2,2,2-trifluoroethanesulfonamide
CID 129188589
(6-Bromo-5-fluoro-2-pyridinyl)imino-dimethyl-lambda4-sulfane
CID 135318112

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)butane-1-sulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)butane-1-sulfonamide (CID 43520639) is N-(6-bromo-2-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)butane-1-sulfonamide?
The InChIKey is WHGGNYRRIRYOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-2-3-7-15(13,14)12-9-6-4-5-8(10)11-9/h4-6H,2-3,7H2,1H3,(H,11,12).
What are the key properties of N-(6-bromo-2-pyridinyl)butane-1-sulfonamide?
N-(6-bromo-2-pyridinyl)butane-1-sulfonamide has a molecular weight of 293.19 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 43520639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).