1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone

C23H24Cl2FNO3S — CID 144850063

IUPAC1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone
SMILESCC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F
InChIInChI=1S/C23H24Cl2FNO3S/c1-14(28)21-12-22(15-2-3-15)16(8-23(21)26)13-27-6-4-19(5-7-27)31(29,30)20-10-17(24)9-18(25)11-20/h8-12,15,19H,2-7,13H2,1H3
InChIKeyRUIGUKCTYRWRBQ-UHFFFAOYSA-N
MW484.42 g/mol
LogP5.65
Rot. Bonds6

About 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone

1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone (PubChem CID 144850063) has the molecular formula C23H24Cl2FNO3S and a molecular weight of 484.42 g/mol. Its IUPAC name is 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone
PubChem CID144850063
Molecular FormulaC23H24Cl2FNO3S
Molecular Weight484.42 g/mol
Exact Mass483.08
IUPAC Name1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone
SMILESCC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F
InChIInChI=1S/C23H24Cl2FNO3S/c1-14(28)21-12-22(15-2-3-15)16(8-23(21)26)13-27-6-4-19(5-7-27)31(29,30)20-10-17(24)9-18(25)11-20/h8-12,15,19H,2-7,13H2,1H3
InChIKeyRUIGUKCTYRWRBQ-UHFFFAOYSA-N
XLogP5.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone (CID 144850063) is 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone is CC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.
What is the InChIKey of 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone?
The InChIKey is RUIGUKCTYRWRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2FNO3S/c1-14(28)21-12-22(15-2-3-15)16(8-23(21)26)13-27-6-4-19(5-7-27)31(29,30)20-10-17(24)9-18(25)11-20/h8-12,15,19H,2-7,13H2,1H3.
What are the key properties of 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone?
1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone has a molecular weight of 484.42 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorophenyl]ethanone is sourced from PubChem (CID 144850063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).