1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

C14H15FN2O4S3 — CID 6469364

IUPAC1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H15FN2O4S3/c15-12-3-5-13(6-4-12)23(18,19)16-7-9-17(10-8-16)24(20,21)14-2-1-11-22-14/h1-6,11H,7-10H2
InChIKeyKAJGTRCUOCGGPM-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.58
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 6469364) has the molecular formula C14H15FN2O4S3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID6469364
Molecular FormulaC14H15FN2O4S3
Molecular Weight390.48 g/mol
Exact Mass390.02
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H15FN2O4S3/c15-12-3-5-13(6-4-12)23(18,19)16-7-9-17(10-8-16)24(20,21)14-2-1-11-22-14/h1-6,11H,7-10H2
InChIKeyKAJGTRCUOCGGPM-UHFFFAOYSA-N
XLogP1.58
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 6469364) is 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is KAJGTRCUOCGGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S3/c15-12-3-5-13(6-4-12)23(18,19)16-7-9-17(10-8-16)24(20,21)14-2-1-11-22-14/h1-6,11H,7-10H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 390.48 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6469364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).