2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

C19H21FN2O3S — CID 110824126

IUPAC2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21FN2O3S/c20-16-6-8-17(9-7-16)21-14-19(23)15-4-10-18(11-5-15)26(24,25)22-12-2-1-3-13-22/h4-11,21H,1-3,12-14H2
InChIKeyWTMZBURRFVAMLQ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 110824126) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID110824126
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESO=C(CNc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21FN2O3S/c20-16-6-8-17(9-7-16)21-14-19(23)15-4-10-18(11-5-15)26(24,25)22-12-2-1-3-13-22/h4-11,21H,1-3,12-14H2
InChIKeyWTMZBURRFVAMLQ-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
CID 110825269
2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824094
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825400
2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824089
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
2-(3-methylanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824087
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
CID 42067264

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 110824126) is 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is O=C(CNc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is WTMZBURRFVAMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-16-6-8-17(9-7-16)21-14-19(23)15-4-10-18(11-5-15)26(24,25)22-12-2-1-3-13-22/h4-11,21H,1-3,12-14H2.
What are the key properties of 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 376.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110824126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).