1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C15H21ClN2O4S — CID 110817212

IUPAC1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC)CC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-3-15(19)17-7-9-18(10-8-17)23(20,21)12-5-6-14(22-4-2)13(16)11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyPHVKRLPUABHNQP-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.98
Rot. Bonds5

About 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 110817212) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID110817212
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC)CC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-3-15(19)17-7-9-18(10-8-17)23(20,21)12-5-6-14(22-4-2)13(16)11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyPHVKRLPUABHNQP-UHFFFAOYSA-N
XLogP1.98
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817215
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817644
1-[4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796516
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(4-ethylpiperazin-1-yl)ethanone
CID 6493062
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
CID 26369913
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814466
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 16516084
1-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 110817153
1-[4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817356
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 8925068

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 110817212) is 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC)CC2)cc1Cl.
What is the InChIKey of 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is PHVKRLPUABHNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-3-15(19)17-7-9-18(10-8-17)23(20,21)12-5-6-14(22-4-2)13(16)11-12/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 360.86 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 110817212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).