[1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone

C24H21F2NO3S — CID 102053059

IUPAC[1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1(c2ccc(F)cc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H21F2NO3S/c25-20-10-6-18(7-11-20)23(28)24(19-8-12-21(26)13-9-19)14-16-27(17-15-24)31(29,30)22-4-2-1-3-5-22/h1-13H,14-17H2
InChIKeyMHGWZSRVFIWYHM-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.57
Rot. Bonds5

About [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 102053059) has the molecular formula C24H21F2NO3S and a molecular weight of 441.50 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID102053059
Molecular FormulaC24H21F2NO3S
Molecular Weight441.50 g/mol
Exact Mass441.12
IUPAC Name[1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1(c2ccc(F)cc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H21F2NO3S/c25-20-10-6-18(7-11-20)23(28)24(19-8-12-21(26)13-9-19)14-16-27(17-15-24)31(29,30)22-4-2-1-3-5-22/h1-13H,14-17H2
InChIKeyMHGWZSRVFIWYHM-UHFFFAOYSA-N
XLogP4.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8a-benzyl-2-(phenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 11417666
8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 24180659
8a-benzyl-2-(4-fluorophenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442918
8a-benzyl-2-tosyl-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442926
(R)-8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442927
8a-benzyl-2-(biphenyl-4-sulfonyl)-1,3,4,7,8,8a-hexahydro-2H-isoquinolin-6-one
CID 44442929
4-(4-Benzenesulfonyl-piperidin-1-yl)-1-(4-fluoro-phenyl)-butan-1-one
CID 11058213
2-[(3R,4R,4aS,8aR)-4-methyl-2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-1-phenylethanone
CID 42627927
8a-(4-fluorobenzyl)-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442957
8a-benzyl-2-(2-(trifluoromethyl)phenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442913
(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 73052667
(3E,5E)-1-(benzenesulfonyl)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one
CID 73052986

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 102053059) is [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1(c2ccc(F)cc2)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is MHGWZSRVFIWYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO3S/c25-20-10-6-18(7-11-20)23(28)24(19-8-12-21(26)13-9-19)14-16-27(17-15-24)31(29,30)22-4-2-1-3-5-22/h1-13H,14-17H2.
What are the key properties of [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 441.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4-(4-fluorophenyl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 102053059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).