5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide

C20H23ClFN3O4S — CID 22578842

IUPAC5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O4S/c1-29-19-7-2-15(21)14-18(19)20(26)23-8-13-30(27,28)25-11-9-24(10-12-25)17-5-3-16(22)4-6-17/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyZPWPNGQMFXLFSP-UHFFFAOYSA-N
MW455.94 g/mol
LogP2.37
Rot. Bonds7

About 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide

5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide (PubChem CID 22578842) has the molecular formula C20H23ClFN3O4S and a molecular weight of 455.94 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
PubChem CID22578842
Molecular FormulaC20H23ClFN3O4S
Molecular Weight455.94 g/mol
Exact Mass455.11
IUPAC Name5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O4S/c1-29-19-7-2-15(21)14-18(19)20(26)23-8-13-30(27,28)25-11-9-24(10-12-25)17-5-3-16(22)4-6-17/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyZPWPNGQMFXLFSP-UHFFFAOYSA-N
XLogP2.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175671
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
CID 18565403
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349918
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-nitrobenzamide
CID 16825838
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide (CID 22578842) is 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide?
The InChIKey is ZPWPNGQMFXLFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O4S/c1-29-19-7-2-15(21)14-18(19)20(26)23-8-13-30(27,28)25-11-9-24(10-12-25)17-5-3-16(22)4-6-17/h2-7,14H,8-13H2,1H3,(H,23,26).
What are the key properties of 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide?
5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide has a molecular weight of 455.94 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide is sourced from PubChem (CID 22578842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).