1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone

C20H23FN2O3S — CID 110825400

IUPAC1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
SMILESCC1CCCN(S(=O)(=O)c2ccc(NCC(=O)c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN2O3S/c1-15-3-2-12-23(14-15)27(25,26)19-10-8-18(9-11-19)22-13-20(24)16-4-6-17(21)7-5-16/h4-11,15,22H,2-3,12-14H2,1H3
InChIKeyVZHITQAXVRNGLY-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.54
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone

1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone (PubChem CID 110825400) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
PubChem CID110825400
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
SMILESCC1CCCN(S(=O)(=O)c2ccc(NCC(=O)c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN2O3S/c1-15-3-2-12-23(14-15)27(25,26)19-10-8-18(9-11-19)22-13-20(24)16-4-6-17(21)7-5-16/h4-11,15,22H,2-3,12-14H2,1H3
InChIKeyVZHITQAXVRNGLY-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

1-(4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825912
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110827741
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829385
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110829801
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone (CID 110825400) is 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone is CC1CCCN(S(=O)(=O)c2ccc(NCC(=O)c3ccc(F)cc3)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The InChIKey is VZHITQAXVRNGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-15-3-2-12-23(14-15)27(25,26)19-10-8-18(9-11-19)22-13-20(24)16-4-6-17(21)7-5-16/h4-11,15,22H,2-3,12-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone?
1-(4-fluorophenyl)-2-[4-(3-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-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone is sourced from PubChem (CID 110825400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).