1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone

C14H20ClN3O4S — CID 120705100

IUPAC1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C14H20ClN3O4S/c1-16-10-14(19)17-5-7-18(8-6-17)23(20,21)13-9-11(15)3-4-12(13)22-2/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyWFXGPQWPNAWBRN-UHFFFAOYSA-N
MW361.85 g/mol
LogP0.40
Rot. Bonds5

About 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone

1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 120705100) has the molecular formula C14H20ClN3O4S and a molecular weight of 361.85 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
PubChem CID120705100
Molecular FormulaC14H20ClN3O4S
Molecular Weight361.85 g/mol
Exact Mass361.09
IUPAC Name1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C14H20ClN3O4S/c1-16-10-14(19)17-5-7-18(8-6-17)23(20,21)13-9-11(15)3-4-12(13)22-2/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyWFXGPQWPNAWBRN-UHFFFAOYSA-N
XLogP0.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592852
methyl (2S)-6-(5-chloro-2-methoxyphenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 129479758
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 92647753
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 9087034
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
1-[(3R)-3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-3-ethylpyrrolidin-1-yl]propan-1-one
CID 95112181

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone (CID 120705100) is 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is WFXGPQWPNAWBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S/c1-16-10-14(19)17-5-7-18(8-6-17)23(20,21)13-9-11(15)3-4-12(13)22-2/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone?
1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone has a molecular weight of 361.85 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 120705100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).