N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide

C16H23ClN2O3S — CID 110342653

IUPACN-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCCCC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O3S/c17-15-6-4-5-14(13-15)7-9-18-16(20)8-12-23(21,22)19-10-2-1-3-11-19/h4-6,13H,1-3,7-12H2,(H,18,20)
InChIKeyGLWQLZKTORYYOK-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide

N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide (PubChem CID 110342653) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
PubChem CID110342653
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCCCC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O3S/c17-15-6-4-5-14(13-15)7-9-18-16(20)8-12-23(21,22)19-10-2-1-3-11-19/h4-6,13H,1-3,7-12H2,(H,18,20)
InChIKeyGLWQLZKTORYYOK-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342622
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
CID 4139316
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110615629

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide (CID 110342653) is N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide is O=C(CCS(=O)(=O)N1CCCCC1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide?
The InChIKey is GLWQLZKTORYYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c17-15-6-4-5-14(13-15)7-9-18-16(20)8-12-23(21,22)19-10-2-1-3-11-19/h4-6,13H,1-3,7-12H2,(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide?
N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide has a molecular weight of 358.89 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide is sourced from PubChem (CID 110342653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).