[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone

C20H23NO3S — CID 34162008

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H23NO3S/c1-15-8-9-19(16(2)14-15)20(22)17-10-12-21(13-11-17)25(23,24)18-6-4-3-5-7-18/h3-9,14,17H,10-13H2,1-2H3
InChIKeyLROFLNQGBNSIKR-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.59
Rot. Bonds4

About [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone

[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone (PubChem CID 34162008) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
PubChem CID34162008
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H23NO3S/c1-15-8-9-19(16(2)14-15)20(22)17-10-12-21(13-11-17)25(23,24)18-6-4-3-5-7-18/h3-9,14,17H,10-13H2,1-2H3
InChIKeyLROFLNQGBNSIKR-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
CID 32601136
(2,4,6-trimethylphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 26187564
3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 55913947
[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 110394188
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone (CID 34162008) is [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone?
The InChIKey is LROFLNQGBNSIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-15-8-9-19(16(2)14-15)20(22)17-10-12-21(13-11-17)25(23,24)18-6-4-3-5-7-18/h3-9,14,17H,10-13H2,1-2H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone has a molecular weight of 357.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 34162008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).