5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine

C20H22ClN3O3S — CID 141343395

IUPAC5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine
SMILESCS(=O)(=O)c1ccc(C2=CC[C@H](C3CCN(c4ncc(Cl)cn4)CC3)O2)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-28(25,26)17-4-2-14(3-5-17)18-6-7-19(27-18)15-8-10-24(11-9-15)20-22-12-16(21)13-23-20/h2-6,12-13,15,19H,7-11H2,1H3/t19-/m1/s1
InChIKeyCXOARCSIIRCYRC-LJQANCHMSA-N
MW419.93 g/mol
LogP3.58
Rot. Bonds4

About 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine

5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 141343395) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine
PubChem CID141343395
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine
SMILESCS(=O)(=O)c1ccc(C2=CC[C@H](C3CCN(c4ncc(Cl)cn4)CC3)O2)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-28(25,26)17-4-2-14(3-5-17)18-6-7-19(27-18)15-8-10-24(11-9-15)20-22-12-16(21)13-23-20/h2-6,12-13,15,19H,7-11H2,1H3/t19-/m1/s1
InChIKeyCXOARCSIIRCYRC-LJQANCHMSA-N
XLogP3.58
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine with MolForge

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Related Compounds

(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridine
CID 71217160
4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine
CID 174698988
2-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethoxy]-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 71657254
N-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethyl]-5-methylsulfonylpyridin-2-amine
CID 75586277
5-chloro-2-[4-[[2-[(4-methylsulfonylphenoxy)methyl]cyclopropyl]methyl]piperidin-1-yl]pyrimidine
CID 66935168
2-[1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 131984580
(3S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 159400655
5-chloro-4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one
CID 53477157
4-[5-(4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-b]pyridin-2-yl]piperidine-1-carboxylic acid
CID 123473167
5-chloro-2-[4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]cyclohexyl]piperazin-1-yl]pyrimidine
CID 66561979
5-cyclopropyl-2-[4-[(1R,2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 71136247
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine (CID 141343395) is 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine is CS(=O)(=O)c1ccc(C2=CC[C@H](C3CCN(c4ncc(Cl)cn4)CC3)O2)cc1.
What is the InChIKey of 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is CXOARCSIIRCYRC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-28(25,26)17-4-2-14(3-5-17)18-6-7-19(27-18)15-8-10-24(11-9-15)20-22-12-16(21)13-23-20/h2-6,12-13,15,19H,7-11H2,1H3/t19-/m1/s1.
What are the key properties of 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine?
5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 419.93 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 141343395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).