3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide

C21H25F2N3O3S — CID 16881239

IUPAC3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H25F2N3O3S/c22-19-7-6-18(16-20(19)23)21(27)24-9-15-30(28,29)26-13-11-25(12-14-26)10-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2,(H,24,27)
InChIKeyOSDLMGWVBBQDPP-UHFFFAOYSA-N
MW437.51 g/mol
LogP1.88
Rot. Bonds8

About 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide

3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide (PubChem CID 16881239) has the molecular formula C21H25F2N3O3S and a molecular weight of 437.51 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
PubChem CID16881239
Molecular FormulaC21H25F2N3O3S
Molecular Weight437.51 g/mol
Exact Mass437.16
IUPAC Name3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H25F2N3O3S/c22-19-7-6-18(16-20(19)23)21(27)24-9-15-30(28,29)26-13-11-25(12-14-26)10-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2,(H,24,27)
InChIKeyOSDLMGWVBBQDPP-UHFFFAOYSA-N
XLogP1.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345378
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 16881315
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide (CID 16881239) is 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide is O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The InChIKey is OSDLMGWVBBQDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3S/c22-19-7-6-18(16-20(19)23)21(27)24-9-15-30(28,29)26-13-11-25(12-14-26)10-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2,(H,24,27).
What are the key properties of 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide has a molecular weight of 437.51 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 16881239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).