[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone

C19H20FNO3S — CID 110661954

IUPAC[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20FNO3S/c20-18-9-5-4-8-17(18)19(22)21-12-10-15(11-13-21)14-25(23,24)16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKeyLTLRJPXOHDMCFC-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.15
Rot. Bonds4

About [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone

[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 110661954) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID110661954
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20FNO3S/c20-18-9-5-4-8-17(18)19(22)21-12-10-15(11-13-21)14-25(23,24)16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKeyLTLRJPXOHDMCFC-UHFFFAOYSA-N
XLogP3.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 110661953
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
[4-(cyclopropylmethylsulfonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 71864041
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 62662648
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589973
methyl 4-[[1-(2-fluorobenzoyl)piperidin-4-yl]methylsulfamoyl]benzoate
CID 71796819
3-(4-ethylpiperidine-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 65370983
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone (CID 110661954) is [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC(CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is LTLRJPXOHDMCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c20-18-9-5-4-8-17(18)19(22)21-12-10-15(11-13-21)14-25(23,24)16-6-2-1-3-7-16/h1-9,15H,10-14H2.
What are the key properties of [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone?
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 361.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 110661954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).