[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone

C20H23NO3S — CID 110661953

IUPAC[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-16-7-9-18(10-8-16)20(22)21-13-11-17(12-14-21)15-25(23,24)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3
InChIKeyOMOOYVGPXCBNCF-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.32
Rot. Bonds4

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

[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 110661953) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is [4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID110661953
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-16-7-9-18(10-8-16)20(22)21-13-11-17(12-14-21)15-25(23,24)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3
InChIKeyOMOOYVGPXCBNCF-UHFFFAOYSA-N
XLogP3.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110661896
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 90585651
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
[4-(aminomethyl)piperidin-1-yl]-[4-(2-methoxyethylsulfonyl)phenyl]methanone
CID 119423276
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone (CID 110661953) is [4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(CS(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is OMOOYVGPXCBNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-16-7-9-18(10-8-16)20(22)21-13-11-17(12-14-21)15-25(23,24)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3.
What are the key properties of [4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 357.48 g/mol, XLogP of 3.32, 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]-(4-methylphenyl)methanone is sourced from PubChem (CID 110661953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).