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

C19H23ClN2O3S — CID 18137015

IUPACN-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c20-18-8-4-5-9-19(18)25-15-14-22-12-10-16(11-13-22)21-26(23,24)17-6-2-1-3-7-17/h1-9,16,21H,10-15H2
InChIKeyQCVDQGWIVWFTDQ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.16
Rot. Bonds7

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

N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 18137015) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID18137015
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c20-18-8-4-5-9-19(18)25-15-14-22-12-10-16(11-13-22)21-26(23,24)17-6-2-1-3-7-17/h1-9,16,21H,10-15H2
InChIKeyQCVDQGWIVWFTDQ-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 18137015) is N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is QCVDQGWIVWFTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c20-18-8-4-5-9-19(18)25-15-14-22-12-10-16(11-13-22)21-26(23,24)17-6-2-1-3-7-17/h1-9,16,21H,10-15H2.
What are the key properties of N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 18137015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).