1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone

C20H23FN2O3S — CID 110825380

IUPAC1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
SMILESCC1CCN(S(=O)(=O)c2ccc(NCC(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O3S/c1-15-10-12-23(13-11-15)27(25,26)19-8-6-18(7-9-19)22-14-20(24)16-2-4-17(21)5-3-16/h2-9,15,22H,10-14H2,1H3
InChIKeyPFWGXOJXYQTVCW-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.54
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone

1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone (PubChem CID 110825380) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
PubChem CID110825380
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
SMILESCC1CCN(S(=O)(=O)c2ccc(NCC(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O3S/c1-15-10-12-23(13-11-15)27(25,26)19-8-6-18(7-9-19)22-14-20(24)16-2-4-17(21)5-3-16/h2-9,15,22H,10-14H2,1H3
InChIKeyPFWGXOJXYQTVCW-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825400
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
2-(2-fluoroanilino)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824174
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110829776
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(3-nitroanilino)ethanone
CID 110824165
2-(2,3-dimethylanilino)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824215
2-(2,4-dimethylanilino)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824167
1-(4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825912
2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007898

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone (CID 110825380) is 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone is CC1CCN(S(=O)(=O)c2ccc(NCC(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The InChIKey is PFWGXOJXYQTVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-15-10-12-23(13-11-15)27(25,26)19-8-6-18(7-9-19)22-14-20(24)16-2-4-17(21)5-3-16/h2-9,15,22H,10-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone?
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone has a molecular weight of 390.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone is sourced from PubChem (CID 110825380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).