N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C19H23BrN2O3S — CID 18133517

IUPACN-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccc(Br)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H23BrN2O3S/c20-16-6-8-18(9-7-16)25-15-14-22-12-10-17(11-13-22)21-26(23,24)19-4-2-1-3-5-19/h1-9,17,21H,10-15H2
InChIKeySYLPLDIFJUXTNW-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.27
Rot. Bonds7

About N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 18133517) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID18133517
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC NameN-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccc(Br)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H23BrN2O3S/c20-16-6-8-18(9-7-16)25-15-14-22-12-10-17(11-13-22)21-26(23,24)19-4-2-1-3-5-19/h1-9,17,21H,10-15H2
InChIKeySYLPLDIFJUXTNW-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 18133517) is N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCOc2ccc(Br)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is SYLPLDIFJUXTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c20-16-6-8-18(9-7-16)25-15-14-22-12-10-17(11-13-22)21-26(23,24)19-4-2-1-3-5-19/h1-9,17,21H,10-15H2.
What are the key properties of N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 439.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 18133517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).