2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide

C11H17BrN2O3S — CID 65013023

IUPAC2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide
SMILESCCCC(COc1cncc(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C11H17BrN2O3S/c1-2-3-9(8-18(13,15)16)7-17-11-4-10(12)5-14-6-11/h4-6,9H,2-3,7-8H2,1H3,(H2,13,15,16)
InChIKeyFONCTULHFOGFJM-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.93
Rot. Bonds7

About 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide

2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide (PubChem CID 65013023) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide
PubChem CID65013023
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide
SMILESCCCC(COc1cncc(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C11H17BrN2O3S/c1-2-3-9(8-18(13,15)16)7-17-11-4-10(12)5-14-6-11/h4-6,9H,2-3,7-8H2,1H3,(H2,13,15,16)
InChIKeyFONCTULHFOGFJM-UHFFFAOYSA-N
XLogP1.93
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide (CID 65013023) is 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide is CCCC(COc1cncc(Br)c1)CS(N)(=O)=O.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide?
The InChIKey is FONCTULHFOGFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-2-3-9(8-18(13,15)16)7-17-11-4-10(12)5-14-6-11/h4-6,9H,2-3,7-8H2,1H3,(H2,13,15,16).
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide?
2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxymethyl]pentane-1-sulfonamide is sourced from PubChem (CID 65013023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).