1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

C14H14F2N2O4S3 — CID 19684927

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H14F2N2O4S3/c15-11-3-4-13(12(16)10-11)24(19,20)17-5-7-18(8-6-17)25(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2
InChIKeyGOCSQCYQEMVIKX-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.72
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 19684927) has the molecular formula C14H14F2N2O4S3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID19684927
Molecular FormulaC14H14F2N2O4S3
Molecular Weight408.47 g/mol
Exact Mass408.01
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H14F2N2O4S3/c15-11-3-4-13(12(16)10-11)24(19,20)17-5-7-18(8-6-17)25(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2
InChIKeyGOCSQCYQEMVIKX-UHFFFAOYSA-N
XLogP1.72
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8686758
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145
1-[1-(2,6-difluorophenyl)ethyl]-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 112840410
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 19684927) is 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is GOCSQCYQEMVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S3/c15-11-3-4-13(12(16)10-11)24(19,20)17-5-7-18(8-6-17)25(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 408.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 19684927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).