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

C11H16BrN3O2S — CID 43520623

IUPACN-(6-bromo-2-pyridinyl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)n1)N1CCCCCC1
InChIInChI=1S/C11H16BrN3O2S/c12-10-6-5-7-11(13-10)14-18(16,17)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2,(H,13,14)
InChIKeyWWMWYBOLMFNEFC-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.38
Rot. Bonds3

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

N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide (PubChem CID 43520623) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)azepane-1-sulfonamide
PubChem CID43520623
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC NameN-(6-bromo-2-pyridinyl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)n1)N1CCCCCC1
InChIInChI=1S/C11H16BrN3O2S/c12-10-6-5-7-11(13-10)14-18(16,17)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2,(H,13,14)
InChIKeyWWMWYBOLMFNEFC-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.38
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

N-(6-chloro-2-pyridinyl)piperidine-1-sulfonamide
CID 104821271
N-(5-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 3320967
3-[6-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 76906299
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 60814440
N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
CID 116798744
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]piperidine-1-sulfonamide
CID 11646302
N-(3,5-dibromopyrazin-2-yl)azepane-1-sulfonamide
CID 114073756
N-(6-bromo-2-pyridinyl)-1,1-difluoromethanesulfonamide
CID 43520628
4-[(6-methyl-2-pyridinyl)sulfamoyl]-1,4-diazepane-1-carboxylic acid
CID 91176008
N-(3-bromo-2-hydroxyphenyl)pyrrolidine-1-sulfonamide
CID 81494529
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide
CID 104821771

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide (CID 43520623) is N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide is O=S(=O)(Nc1cccc(Br)n1)N1CCCCCC1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide?
The InChIKey is WWMWYBOLMFNEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c12-10-6-5-7-11(13-10)14-18(16,17)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2,(H,13,14).
What are the key properties of N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide?
N-(6-bromo-2-pyridinyl)azepane-1-sulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.38, 3 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)azepane-1-sulfonamide is sourced from PubChem (CID 43520623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).