1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine

C16H24ClNO2S — CID 62922384

IUPAC1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-2-15-7-3-4-13-18(15)21(19,20)16-10-8-14(9-11-16)6-5-12-17/h8-11,15H,2-7,12-13H2,1H3
InChIKeyAYQQZYYBIKVTBF-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.81
Rot. Bonds6

About 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine

1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine (PubChem CID 62922384) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine.

Molecular Properties

Compound Name1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
PubChem CID62922384
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-2-15-7-3-4-13-18(15)21(19,20)16-10-8-14(9-11-16)6-5-12-17/h8-11,15H,2-7,12-13H2,1H3
InChIKeyAYQQZYYBIKVTBF-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 2787058
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
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2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
2-ethyl-1-(4-isocyanatophenyl)sulfonylpiperidine
CID 169354521
1-[[5-(chloromethyl)-2-pyridinyl]sulfonyl]-2-ethylazepane
CID 104692863
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 43662640
1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methylpiperidine
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2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine?
The IUPAC name of 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine (CID 62922384) is 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine.
What is the SMILES notation for 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine?
The canonical SMILES for 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)c1ccc(CCCCl)cc1.
What is the InChIKey of 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine?
The InChIKey is AYQQZYYBIKVTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-2-15-7-3-4-13-18(15)21(19,20)16-10-8-14(9-11-16)6-5-12-17/h8-11,15H,2-7,12-13H2,1H3.
What are the key properties of 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine?
1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine has a molecular weight of 329.89 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine is sourced from PubChem (CID 62922384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).