(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone

C19H20FNO3S — CID 110394840

IUPAC(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H20FNO3S/c20-18-10-8-16(9-11-18)19(22)17-7-4-12-21(13-17)25(23,24)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2
InChIKeyKZWWNYQSJXNTCY-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.25
Rot. Bonds5

About (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone

(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone (PubChem CID 110394840) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
PubChem CID110394840
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H20FNO3S/c20-18-10-8-16(9-11-18)19(22)17-7-4-12-21(13-17)25(23,24)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2
InChIKeyKZWWNYQSJXNTCY-UHFFFAOYSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 110394846
(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone
CID 110394842
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110357734
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
(3S)-N-(3-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642216
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
(1-benzylsulfonylpiperidin-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578003
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
CID 45212473

Frequently Asked Questions

What is the IUPAC name of (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone (CID 110394840) is (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone?
The InChIKey is KZWWNYQSJXNTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c20-18-10-8-16(9-11-18)19(22)17-7-4-12-21(13-17)25(23,24)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2.
What are the key properties of (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone?
(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone has a molecular weight of 361.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 110394840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).