1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole

C18H20F2N4O3S — CID 126952788

IUPAC1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole
SMILESO=S(=O)(c1cnc[nH]1)N1CCC(Oc2cccc3c2ccn3CC(F)F)CC1
InChIInChI=1S/C18H20F2N4O3S/c19-17(20)11-23-7-6-14-15(23)2-1-3-16(14)27-13-4-8-24(9-5-13)28(25,26)18-10-21-12-22-18/h1-3,6-7,10,12-13,17H,4-5,8-9,11H2,(H,21,22)
InChIKeyXXSZJBXYIPRPQW-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.86
Rot. Bonds6

About 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole

1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole (PubChem CID 126952788) has the molecular formula C18H20F2N4O3S and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole
PubChem CID126952788
Molecular FormulaC18H20F2N4O3S
Molecular Weight410.45 g/mol
Exact Mass410.12
IUPAC Name1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole
SMILESO=S(=O)(c1cnc[nH]1)N1CCC(Oc2cccc3c2ccn3CC(F)F)CC1
InChIInChI=1S/C18H20F2N4O3S/c19-17(20)11-23-7-6-14-15(23)2-1-3-16(14)27-13-4-8-24(9-5-13)28(25,26)18-10-21-12-22-18/h1-3,6-7,10,12-13,17H,4-5,8-9,11H2,(H,21,22)
InChIKeyXXSZJBXYIPRPQW-UHFFFAOYSA-N
XLogP2.86
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
CID 126952819
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 126952338
1-(2,2-difluoroethyl)-4-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952840
5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile
CID 126952930
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126952869
4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126952881
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126952953
2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953379
6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126952834

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole (CID 126952788) is 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole is O=S(=O)(c1cnc[nH]1)N1CCC(Oc2cccc3c2ccn3CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole?
The InChIKey is XXSZJBXYIPRPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3S/c19-17(20)11-23-7-6-14-15(23)2-1-3-16(14)27-13-4-8-24(9-5-13)28(25,26)18-10-21-12-22-18/h1-3,6-7,10,12-13,17H,4-5,8-9,11H2,(H,21,22).
What are the key properties of 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole?
1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole has a molecular weight of 410.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole is sourced from PubChem (CID 126952788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).