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

C15H20N2O4S — CID 858314

IUPACcyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-21-13-4-6-14(7-5-13)22(19,20)17-10-8-16(9-11-17)15(18)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3
InChIKeyJSCHSMXAVRXNTF-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.94
Rot. Bonds4

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

cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 858314) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID858314
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Namecyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-21-13-4-6-14(7-5-13)22(19,20)17-10-8-16(9-11-17)15(18)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3
InChIKeyJSCHSMXAVRXNTF-UHFFFAOYSA-N
XLogP0.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
4-acetyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10522311
1-[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 717180
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
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
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 858314) is cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is JSCHSMXAVRXNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-21-13-4-6-14(7-5-13)22(19,20)17-10-8-16(9-11-17)15(18)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 324.40 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 858314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).