[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone

C15H18Cl2N2O4S — CID 86850653

IUPAC[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2N2O4S/c16-13-2-1-12(9-14(13)17)24(21,22)19-6-4-18(5-7-19)15(20)11-3-8-23-10-11/h1-2,9,11H,3-8,10H2
InChIKeyXTXDCGWVALQNRQ-UHFFFAOYSA-N
MW393.29 g/mol
LogP1.86
Rot. Bonds3

About [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 86850653) has the molecular formula C15H18Cl2N2O4S and a molecular weight of 393.29 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone
PubChem CID86850653
Molecular FormulaC15H18Cl2N2O4S
Molecular Weight393.29 g/mol
Exact Mass392.04
IUPAC Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2N2O4S/c16-13-2-1-12(9-14(13)17)24(21,22)19-6-4-18(5-7-19)15(20)11-3-8-23-10-11/h1-2,9,11H,3-8,10H2
InChIKeyXTXDCGWVALQNRQ-UHFFFAOYSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone (CID 86850653) is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is XTXDCGWVALQNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4S/c16-13-2-1-12(9-14(13)17)24(21,22)19-6-4-18(5-7-19)15(20)11-3-8-23-10-11/h1-2,9,11H,3-8,10H2.
What are the key properties of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone?
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 393.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 86850653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).