1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone

C17H23NO5S2 — CID 90594011

IUPAC1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)cc1
InChIInChI=1S/C17H23NO5S2/c1-13(19)14-7-9-16(10-8-14)25(22,23)18-11-17(12-18)24(20,21)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-12H2,1H3
InChIKeyIVFQJDUXUHFCSB-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.01
Rot. Bonds5

About 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone

1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone (PubChem CID 90594011) has the molecular formula C17H23NO5S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone
PubChem CID90594011
Molecular FormulaC17H23NO5S2
Molecular Weight385.51 g/mol
Exact Mass385.10
IUPAC Name1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)cc1
InChIInChI=1S/C17H23NO5S2/c1-13(19)14-7-9-16(10-8-14)25(22,23)18-11-17(12-18)24(20,21)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-12H2,1H3
InChIKeyIVFQJDUXUHFCSB-UHFFFAOYSA-N
XLogP2.01
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 79036967
1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 63222011
1-[4-[(3R)-3-methylsulfanylpiperidin-1-yl]sulfonylphenyl]ethanone
CID 124856123
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594008
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620566
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
(2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylpropanamide
CID 9337827
1-(2-bromophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594041
(4-acetylphenyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2634805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone (CID 90594011) is 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)cc1.
What is the InChIKey of 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone?
The InChIKey is IVFQJDUXUHFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5S2/c1-13(19)14-7-9-16(10-8-14)25(22,23)18-11-17(12-18)24(20,21)15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-12H2,1H3.
What are the key properties of 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone?
1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone has a molecular weight of 385.51 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclohexylsulfonylazetidin-1-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 90594011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).