4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine

C13H16ClF2NO3S — CID 82689238

IUPAC4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(OCCCl)CC1
InChIInChI=1S/C13H16ClF2NO3S/c14-5-8-20-11-3-6-17(7-4-11)21(18,19)13-2-1-10(15)9-12(13)16/h1-2,9,11H,3-8H2
InChIKeyLQNGZJZHMPKOPS-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.37
Rot. Bonds5

About 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine

4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine (PubChem CID 82689238) has the molecular formula C13H16ClF2NO3S and a molecular weight of 339.79 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine
PubChem CID82689238
Molecular FormulaC13H16ClF2NO3S
Molecular Weight339.79 g/mol
Exact Mass339.05
IUPAC Name4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(OCCCl)CC1
InChIInChI=1S/C13H16ClF2NO3S/c14-5-8-20-11-3-6-17(7-4-11)21(18,19)13-2-1-10(15)9-12(13)16/h1-2,9,11H,3-8H2
InChIKeyLQNGZJZHMPKOPS-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992755
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
4-(2-bromoethoxy)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 82687785
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine
CID 61217396
1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590341
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
3-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992630
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine (CID 82689238) is 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1F)N1CCC(OCCCl)CC1.
What is the InChIKey of 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine?
The InChIKey is LQNGZJZHMPKOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO3S/c14-5-8-20-11-3-6-17(7-4-11)21(18,19)13-2-1-10(15)9-12(13)16/h1-2,9,11H,3-8H2.
What are the key properties of 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine?
4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine has a molecular weight of 339.79 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 82689238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).