N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide

C10H13BrN2O3S — CID 102820673

IUPACN-(4-bromo-2-pyridinyl)oxane-4-sulfonamide
SMILESO=S(=O)(Nc1cc(Br)ccn1)C1CCOCC1
InChIInChI=1S/C10H13BrN2O3S/c11-8-1-4-12-10(7-8)13-17(14,15)9-2-5-16-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,12,13)
InChIKeyVNNVBQKXQGEGPR-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.76
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide

N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide (PubChem CID 102820673) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)oxane-4-sulfonamide
PubChem CID102820673
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC NameN-(4-bromo-2-pyridinyl)oxane-4-sulfonamide
SMILESO=S(=O)(Nc1cc(Br)ccn1)C1CCOCC1
InChIInChI=1S/C10H13BrN2O3S/c11-8-1-4-12-10(7-8)13-17(14,15)9-2-5-16-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,12,13)
InChIKeyVNNVBQKXQGEGPR-UHFFFAOYSA-N
XLogP1.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)oxane-4-sulfonamide
CID 79729960
N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
CID 62047703
1-(4-bromo-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913036
4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088
N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 62049363
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-(6-amino-3-pyridinyl)oxane-4-sulfonamide
CID 62047735
N-(5-bromo-2-pyridinyl)cyclohexanesulfonamide
CID 63905369
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]cyclopentanesulfonamide
CID 102821806
4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 130891045
4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 102820721
N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide (CID 102820673) is N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide is O=S(=O)(Nc1cc(Br)ccn1)C1CCOCC1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide?
The InChIKey is VNNVBQKXQGEGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-8-1-4-12-10(7-8)13-17(14,15)9-2-5-16-6-3-9/h1,4,7,9H,2-3,5-6H2,(H,12,13).
What are the key properties of N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide?
N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide has a molecular weight of 321.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide is sourced from PubChem (CID 102820673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).