(2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine

C14H17F2NO4S — CID 52847337

IUPAC(2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C14H17F2NO4S/c15-10-4-5-13(11(16)9-10)22(18,19)17-6-2-1-3-12(17)14-20-7-8-21-14/h4-5,9,12,14H,1-3,6-8H2/t12-/m1/s1
InChIKeyMHUPCOIZECKPKQ-GFCCVEGCSA-N
MW333.36 g/mol
LogP1.88
Rot. Bonds3

About (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine

(2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine (PubChem CID 52847337) has the molecular formula C14H17F2NO4S and a molecular weight of 333.36 g/mol. Its IUPAC name is (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name(2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
PubChem CID52847337
Molecular FormulaC14H17F2NO4S
Molecular Weight333.36 g/mol
Exact Mass333.08
IUPAC Name(2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C14H17F2NO4S/c15-10-4-5-13(11(16)9-10)22(18,19)17-6-2-1-3-12(17)14-20-7-8-21-14/h4-5,9,12,14H,1-3,6-8H2/t12-/m1/s1
InChIKeyMHUPCOIZECKPKQ-GFCCVEGCSA-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 (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine (CID 52847337) is (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine is O=S(=O)(c1ccc(F)cc1F)N1CCCC[C@@H]1C1OCCO1.
What is the InChIKey of (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is MHUPCOIZECKPKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17F2NO4S/c15-10-4-5-13(11(16)9-10)22(18,19)17-6-2-1-3-12(17)14-20-7-8-21-14/h4-5,9,12,14H,1-3,6-8H2/t12-/m1/s1.
What are the key properties of (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine?
(2R)-1-(2,4-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 (2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 52847337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).