(2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine

C14H17F2NO4S — CID 52847266

IUPAC(2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C14H17F2NO4S/c15-10-7-11(16)9-12(8-10)22(18,19)17-4-2-1-3-13(17)14-20-5-6-21-14/h7-9,13-14H,1-6H2/t13-/m0/s1
InChIKeyYPQURDDOMRTRBN-ZDUSSCGKSA-N
MW333.36 g/mol
LogP1.88
Rot. Bonds3

About (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine

(2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine (PubChem CID 52847266) has the molecular formula C14H17F2NO4S and a molecular weight of 333.36 g/mol. Its IUPAC name is (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
PubChem CID52847266
Molecular FormulaC14H17F2NO4S
Molecular Weight333.36 g/mol
Exact Mass333.08
IUPAC Name(2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C14H17F2NO4S/c15-10-7-11(16)9-12(8-10)22(18,19)17-4-2-1-3-13(17)14-20-5-6-21-14/h7-9,13-14H,1-6H2/t13-/m0/s1
InChIKeyYPQURDDOMRTRBN-ZDUSSCGKSA-N
XLogP1.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine (CID 52847266) is (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine is O=S(=O)(c1cc(F)cc(F)c1)N1CCCC[C@H]1C1OCCO1.
What is the InChIKey of (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is YPQURDDOMRTRBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17F2NO4S/c15-10-7-11(16)9-12(8-10)22(18,19)17-4-2-1-3-13(17)14-20-5-6-21-14/h7-9,13-14H,1-6H2/t13-/m0/s1.
What are the key properties of (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine?
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 333.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 52847266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).