1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

C14H14F2N2O4S3 — CID 6469577

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H14F2N2O4S3/c15-12-4-3-11(10-13(12)16)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
InChIKeyGOHWAYRYXLBXSX-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.72
Rot. Bonds4

About 1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine

1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 6469577) has the molecular formula C14H14F2N2O4S3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID6469577
Molecular FormulaC14H14F2N2O4S3
Molecular Weight408.47 g/mol
Exact Mass408.01
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H14F2N2O4S3/c15-12-4-3-11(10-13(12)16)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
InChIKeyGOHWAYRYXLBXSX-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

2-Phenylthio-1-[4-(2-thienylsulfonyl)piperazinyl]ethan-1-one
CID 2713014
1-[(4-Methylphenyl)sulfonyl]-4-(2-thienylsulfonyl)piperazine
CID 6465212
1-[(4-Fluorophenyl)sulfonyl]-4-(thiophen-3-ylmethyl)piperazine
CID 770625
4-Fluoro-1-{[4-(2-thienylsulfonyl)piperazinyl]sulfonyl}benzene
CID 6469364
1-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine
CID 2820763
1-(3-Phenylprop-2-enyl)-4-thiophen-2-ylsulfonylpiperazine
CID 659961
1-Cinnamyl-4-(thiophen-2-ylsulfonyl)piperazine
CID 939712
1-(5-Chlorothiophen-2-yl)sulfonyl-4-(2,3,4-trifluorophenyl)sulfonylpiperazine
CID 4842678
1-Thiophen-2-ylsulfonyl-4-(2,3,4-trifluorophenyl)sulfonylpiperazine
CID 4968457
1-(5-Chlorothiophen-2-yl)sulfonyl-4-[2-(4-fluorophenyl)sulfanylethyl]piperazine
CID 16307952
1-(2,4-Difluorophenyl)sulfonyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine
CID 37598688
1-((2,6-Difluorophenyl)sulfonyl)-4-(thiophen-3-yl)piperidine
CID 71787023

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 6469577) is 1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is GOHWAYRYXLBXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S3/c15-12-4-3-11(10-13(12)16)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-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-(3,4-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-(3,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6469577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).