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

C14H15FN2O4S3 — CID 51169067

IUPAC1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H15FN2O4S3/c15-12-4-1-2-5-13(12)23(18,19)16-7-9-17(10-8-16)24(20,21)14-6-3-11-22-14/h1-6,11H,7-10H2
InChIKeyWBYYTXQSZCLFRJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.58
Rot. Bonds4

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

1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 51169067) has the molecular formula C14H15FN2O4S3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID51169067
Molecular FormulaC14H15FN2O4S3
Molecular Weight390.48 g/mol
Exact Mass390.02
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H15FN2O4S3/c15-12-4-1-2-5-13(12)23(18,19)16-7-9-17(10-8-16)24(20,21)14-6-3-11-22-14/h1-6,11H,7-10H2
InChIKeyWBYYTXQSZCLFRJ-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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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
CID 7029027
1-thiophen-2-ylsulfonylpiperidine
CID 765823
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 163331836
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4801929
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine (CID 51169067) is 1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is WBYYTXQSZCLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S3/c15-12-4-1-2-5-13(12)23(18,19)16-7-9-17(10-8-16)24(20,21)14-6-3-11-22-14/h1-6,11H,7-10H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine?
1-(2-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-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 51169067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).