1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C20H22Cl2N2O3S — CID 24945559

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O3S/c1-20(2,15-6-4-3-5-7-15)19(25)23-8-10-24(11-9-23)28(26,27)18-13-16(21)12-17(22)14-18/h3-7,12-14H,8-11H2,1-2H3
InChIKeyMMBXLZMYPLTHBU-UHFFFAOYSA-N
MW441.38 g/mol
LogP3.80
Rot. Bonds4

About 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 24945559) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID24945559
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O3S/c1-20(2,15-6-4-3-5-7-15)19(25)23-8-10-24(11-9-23)28(26,27)18-13-16(21)12-17(22)14-18/h3-7,12-14H,8-11H2,1-2H3
InChIKeyMMBXLZMYPLTHBU-UHFFFAOYSA-N
XLogP3.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 24945559) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is MMBXLZMYPLTHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c1-20(2,15-6-4-3-5-7-15)19(25)23-8-10-24(11-9-23)28(26,27)18-13-16(21)12-17(22)14-18/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 441.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 24945559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).