[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone

C22H20F2N2O4S2 — CID 39945412

IUPAC[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cccs2)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H20F2N2O4S2/c23-17-6-7-20(24)21(14-17)32(28,29)26-10-8-25(9-11-26)22(27)16-3-1-4-18(13-16)30-15-19-5-2-12-31-19/h1-7,12-14H,8-11,15H2
InChIKeyQNASPCAYOWFFAP-UHFFFAOYSA-N
MW478.54 g/mol
LogP3.75
Rot. Bonds6

About [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone (PubChem CID 39945412) has the molecular formula C22H20F2N2O4S2 and a molecular weight of 478.54 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
PubChem CID39945412
Molecular FormulaC22H20F2N2O4S2
Molecular Weight478.54 g/mol
Exact Mass478.08
IUPAC Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cccs2)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C22H20F2N2O4S2/c23-17-6-7-20(24)21(14-17)32(28,29)26-10-8-25(9-11-26)22(27)16-3-1-4-18(13-16)30-15-19-5-2-12-31-19/h1-7,12-14H,8-11,15H2
InChIKeyQNASPCAYOWFFAP-UHFFFAOYSA-N
XLogP3.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 39896443
1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 122135504
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
1,3-benzodioxol-5-yl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370807
(3S)-1-[3-(thiophen-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124703583
N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443461
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 55997998
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 41275096
2-(3-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8924494
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 26381982
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 42993440

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone (CID 39945412) is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone is O=C(c1cccc(OCc2cccs2)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone?
The InChIKey is QNASPCAYOWFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S2/c23-17-6-7-20(24)21(14-17)32(28,29)26-10-8-25(9-11-26)22(27)16-3-1-4-18(13-16)30-15-19-5-2-12-31-19/h1-7,12-14H,8-11,15H2.
What are the key properties of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone?
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone has a molecular weight of 478.54 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 39945412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).