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

C19H20FNO3S — CID 110661896

IUPAC[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H20FNO3S/c20-17-10-8-16(9-11-17)19(22)21-12-4-5-15(13-21)14-25(23,24)18-6-2-1-3-7-18/h1-3,6-11,15H,4-5,12-14H2
InChIKeyCVNRAZNGRCDVAS-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.15
Rot. Bonds4

About [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone

[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 110661896) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID110661896
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H20FNO3S/c20-17-10-8-16(9-11-17)19(22)21-12-4-5-15(13-21)14-25(23,24)18-6-2-1-3-7-18/h1-3,6-11,15H,4-5,12-14H2
InChIKeyCVNRAZNGRCDVAS-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

Analyze [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110661869
[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
CID 110661911
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
tert-butyl (3R)-3-[(4-fluorophenyl)sulfonylmethyl]piperidine-1-carboxylate
CID 159445241
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 90585651
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
CID 122155789
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 110661953
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 110661896) is [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC(CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is CVNRAZNGRCDVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c20-17-10-8-16(9-11-17)19(22)21-12-4-5-15(13-21)14-25(23,24)18-6-2-1-3-7-18/h1-3,6-11,15H,4-5,12-14H2.
What are the key properties of [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-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 [3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 110661896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).