3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C24H31ClN2O3S — CID 127026444

IUPAC3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C24H31ClN2O3S/c25-20-8-5-9-22(18-20)31(28,29)26-21-12-14-27(15-13-21)16-17-30-24-11-4-3-10-23(24)19-6-1-2-7-19/h3-5,8-11,18-19,21,26H,1-2,6-7,12-17H2
InChIKeyUKNHWMIAOJCVSI-UHFFFAOYSA-N
MW463.04 g/mol
LogP4.82
Rot. Bonds8

About 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 127026444) has the molecular formula C24H31ClN2O3S and a molecular weight of 463.04 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID127026444
Molecular FormulaC24H31ClN2O3S
Molecular Weight463.04 g/mol
Exact Mass462.17
IUPAC Name3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C24H31ClN2O3S/c25-20-8-5-9-22(18-20)31(28,29)26-21-12-14-27(15-13-21)16-17-30-24-11-4-3-10-23(24)19-6-1-2-7-19/h3-5,8-11,18-19,21,26H,1-2,6-7,12-17H2
InChIKeyUKNHWMIAOJCVSI-UHFFFAOYSA-N
XLogP4.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.04
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 127026444) is 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2C2CCCC2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is UKNHWMIAOJCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3S/c25-20-8-5-9-22(18-20)31(28,29)26-21-12-14-27(15-13-21)16-17-30-24-11-4-3-10-23(24)19-6-1-2-7-19/h3-5,8-11,18-19,21,26H,1-2,6-7,12-17H2.
What are the key properties of 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 463.04 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 127026444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).