N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide

C19H24BrN3O3S — CID 165374146

IUPACN-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Br)cnc1OCCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C19H24BrN3O3S/c20-16-14-18(22-27(24,25)17-8-3-1-4-9-17)19(21-15-16)26-13-7-12-23-10-5-2-6-11-23/h1,3-4,8-9,14-15,22H,2,5-7,10-13H2
InChIKeyDPJFNUCLYFJGHL-UHFFFAOYSA-N
MW454.39 g/mol
LogP3.90
Rot. Bonds8

About N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide

N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide (PubChem CID 165374146) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide
PubChem CID165374146
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC NameN-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Br)cnc1OCCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C19H24BrN3O3S/c20-16-14-18(22-27(24,25)17-8-3-1-4-9-17)19(21-15-16)26-13-7-12-23-10-5-2-6-11-23/h1,3-4,8-9,14-15,22H,2,5-7,10-13H2
InChIKeyDPJFNUCLYFJGHL-UHFFFAOYSA-N
XLogP3.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide (CID 165374146) is N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(Br)cnc1OCCCN1CCCCC1)c1ccccc1.
What is the InChIKey of N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide?
The InChIKey is DPJFNUCLYFJGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c20-16-14-18(22-27(24,25)17-8-3-1-4-9-17)19(21-15-16)26-13-7-12-23-10-5-2-6-11-23/h1,3-4,8-9,14-15,22H,2,5-7,10-13H2.
What are the key properties of N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide?
N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide has a molecular weight of 454.39 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 165374146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).