1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine

C14H20FNO4S — CID 91907780

IUPAC1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO4S/c1-19-10-11-20-13-6-8-16(9-7-13)21(17,18)14-4-2-12(15)3-5-14/h2-5,13H,6-11H2,1H3
InChIKeyAPSAGGQFFXFYQE-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.64
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine

1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine (PubChem CID 91907780) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine
PubChem CID91907780
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO4S/c1-19-10-11-20-13-6-8-16(9-7-13)21(17,18)14-4-2-12(15)3-5-14/h2-5,13H,6-11H2,1H3
InChIKeyAPSAGGQFFXFYQE-UHFFFAOYSA-N
XLogP1.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(2,5-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464811
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
4-((2-Fluorophenyl)sulfonyl)morpholine
CID 697731
4-((4-Fluorophenyl)sulfonyl)morpholine
CID 755377
8-[(4-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
4-(3,4-Difluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 3495349
4-(4-Methoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 43216606
4-(3-Fluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 2938759
1-((3,5-Difluorophenyl)sulfonyl)-4-methoxypiperidine
CID 49720668
4-(4-Ethoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 71364075

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine (CID 91907780) is 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine is COCCOC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine?
The InChIKey is APSAGGQFFXFYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-19-10-11-20-13-6-8-16(9-7-13)21(17,18)14-4-2-12(15)3-5-14/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine?
1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine has a molecular weight of 317.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 91907780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).