cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C16H22N2O4S — CID 2671235

IUPACcyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-22-14-5-7-15(8-6-14)23(20,21)18-11-9-17(10-12-18)16(19)13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3
InChIKeyLZDBQKXJSSJCCF-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.33
Rot. Bonds4

About cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2671235) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2671235
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Namecyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-22-14-5-7-15(8-6-14)23(20,21)18-11-9-17(10-12-18)16(19)13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3
InChIKeyLZDBQKXJSSJCCF-UHFFFAOYSA-N
XLogP1.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 717180
2-Chloro-1-(4-(4-methoxybenzenesulfonyl)piperazin-1-yl)ethan-1-one
CID 2051940
N-hydroxy-2-[(4-methoxybenzene)[2-(piperidin-1-yl)ethyl]sulfonamido]acetamide
CID 10833044
[4-(3-Bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 9116113
N-{[1-(cyclopentylcarbonyl)piperidin-3-yl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 893362
Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
1-[(4-Methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 1088331
(2R,3R)-2-{[(4-Methoxy-benzenesulfonyl)-methyl-amino]-methyl}-5-methyl-3-(piperidine-1-carbonyl)-hexanoic acid hydroxyamide
CID 9825927
Methyl 1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxylate
CID 737721
4-(4-Methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 753490

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 2671235) is cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is LZDBQKXJSSJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-22-14-5-7-15(8-6-14)23(20,21)18-11-9-17(10-12-18)16(19)13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 338.43 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2671235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).