2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine

C13H13ClFN3O3S2 — CID 122258636

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H13ClFN3O3S2/c14-11-3-4-12(22-11)23(19,20)18-5-1-2-10(8-18)21-13-16-6-9(15)7-17-13/h3-4,6-7,10H,1-2,5,8H2
InChIKeyRTQZCFJRAOCFAM-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine (PubChem CID 122258636) has the molecular formula C13H13ClFN3O3S2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
PubChem CID122258636
Molecular FormulaC13H13ClFN3O3S2
Molecular Weight377.85 g/mol
Exact Mass377.01
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H13ClFN3O3S2/c14-11-3-4-12(22-11)23(19,20)18-5-1-2-10(8-18)21-13-16-6-9(15)7-17-13/h3-4,6-7,10H,1-2,5,8H2
InChIKeyRTQZCFJRAOCFAM-UHFFFAOYSA-N
XLogP2.56
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258626
5-fluoro-2-(1-propan-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258659
5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 129355039
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 122267264
5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100778
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
CID 63845902
5-bromo-2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259163
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110397007
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624540
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine (CID 122258636) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine is O=S(=O)(c1ccc(Cl)s1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
The InChIKey is RTQZCFJRAOCFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O3S2/c14-11-3-4-12(22-11)23(19,20)18-5-1-2-10(8-18)21-13-16-6-9(15)7-17-13/h3-4,6-7,10H,1-2,5,8H2.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine?
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine has a molecular weight of 377.85 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine is sourced from PubChem (CID 122258636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).