2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

C19H28Cl2N4O3S — CID 42912187

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C19H28Cl2N4O3S/c1-3-22-7-9-24(10-8-22)19(26)15(2)23-11-13-25(14-12-23)29(27,28)17-6-4-5-16(20)18(17)21/h4-6,15H,3,7-14H2,1-2H3
InChIKeyHLUGJFAHOXPZBF-UHFFFAOYSA-N
MW463.43 g/mol
LogP1.85
Rot. Bonds5

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 42912187) has the molecular formula C19H28Cl2N4O3S and a molecular weight of 463.43 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID42912187
Molecular FormulaC19H28Cl2N4O3S
Molecular Weight463.43 g/mol
Exact Mass462.13
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C19H28Cl2N4O3S/c1-3-22-7-9-24(10-8-22)19(26)15(2)23-11-13-25(14-12-23)29(27,28)17-6-4-5-16(20)18(17)21/h4-6,15H,3,7-14H2,1-2H3
InChIKeyHLUGJFAHOXPZBF-UHFFFAOYSA-N
XLogP1.85
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 42912187) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)C(C)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is HLUGJFAHOXPZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N4O3S/c1-3-22-7-9-24(10-8-22)19(26)15(2)23-11-13-25(14-12-23)29(27,28)17-6-4-5-16(20)18(17)21/h4-6,15H,3,7-14H2,1-2H3.
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 463.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 42912187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).