[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C19H21NO4S — CID 1438179

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO4S/c1-24-17-9-7-15(8-10-17)19(21)16-11-13-20(14-12-16)25(22,23)18-5-3-2-4-6-18/h2-10,16H,11-14H2,1H3
InChIKeyNATAMIBGUQNVMU-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.98
Rot. Bonds5

About [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 1438179) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID1438179
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO4S/c1-24-17-9-7-15(8-10-17)19(21)16-11-13-20(14-12-16)25(22,23)18-5-3-2-4-6-18/h2-10,16H,11-14H2,1H3
InChIKeyNATAMIBGUQNVMU-UHFFFAOYSA-N
XLogP2.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 16608359
(3,4-dimethylphenyl)-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 110394212
(4-methoxyphenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 94244239
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 25411571
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 51307617
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
1-(benzenesulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167037

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 1438179) is [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is NATAMIBGUQNVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-24-17-9-7-15(8-10-17)19(21)16-11-13-20(14-12-16)25(22,23)18-5-3-2-4-6-18/h2-10,16H,11-14H2,1H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 359.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1438179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).