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

C14H17F2NO4S — CID 95275233

IUPAC(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C14H17F2NO4S/c15-11-6-12(16)8-13(7-11)22(18,19)17-3-1-2-10(9-17)14-20-4-5-21-14/h6-8,10,14H,1-5,9H2/t10-/m1/s1
InChIKeyKPCDCQPNVMSVIZ-SNVBAGLBSA-N
MW333.36 g/mol
LogP1.74
Rot. Bonds3

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

(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine (PubChem CID 95275233) has the molecular formula C14H17F2NO4S and a molecular weight of 333.36 g/mol. Its IUPAC name is (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
PubChem CID95275233
Molecular FormulaC14H17F2NO4S
Molecular Weight333.36 g/mol
Exact Mass333.08
IUPAC Name(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C14H17F2NO4S/c15-11-6-12(16)8-13(7-11)22(18,19)17-3-1-2-10(9-17)14-20-4-5-21-14/h6-8,10,14H,1-5,9H2/t10-/m1/s1
InChIKeyKPCDCQPNVMSVIZ-SNVBAGLBSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
(3R)-1-(3-bromo-4-methoxyphenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95345944
(1R)-1-[(3R)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239679
(1S)-1-[(3S)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239680
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954
1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine
CID 86769473
1-(3,5-difluorophenyl)sulfonyl-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 47034057
(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 97055812
3-(4-chlorophenyl)-1-(3,5-difluorophenyl)sulfonylazepane
CID 121146821
3-fluoro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 63322882
(3S)-1-(3-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 136580982

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine (CID 95275233) is (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine is O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](C2OCCO2)C1.
What is the InChIKey of (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is KPCDCQPNVMSVIZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F2NO4S/c15-11-6-12(16)8-13(7-11)22(18,19)17-3-1-2-10(9-17)14-20-4-5-21-14/h6-8,10,14H,1-5,9H2/t10-/m1/s1.
What are the key properties of (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine?
(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 333.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 95275233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).