1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine

C18H23FN2O2S2 — CID 110412116

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(CCc3ccccc3F)CC2)s1
InChIInChI=1S/C18H23FN2O2S2/c1-2-16-7-8-18(24-16)25(22,23)21-13-11-20(12-14-21)10-9-15-5-3-4-6-17(15)19/h3-8H,2,9-14H2,1H3
InChIKeyQSAFBADMBWSJQF-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.00
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine

1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine (PubChem CID 110412116) has the molecular formula C18H23FN2O2S2 and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
PubChem CID110412116
Molecular FormulaC18H23FN2O2S2
Molecular Weight382.53 g/mol
Exact Mass382.12
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(CCc3ccccc3F)CC2)s1
InChIInChI=1S/C18H23FN2O2S2/c1-2-16-7-8-18(24-16)25(22,23)21-13-11-20(12-14-21)10-9-15-5-3-4-6-17(15)19/h3-8H,2,9-14H2,1H3
InChIKeyQSAFBADMBWSJQF-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 113074376
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
2-[5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]sulfonylthiophen-2-yl]acetic acid
CID 47012540
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
CID 113073430
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 90561924
1-[4-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 110412144
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110359006
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534071
1-(benzenesulfonyl)-4-[3-(2-fluorophenyl)propyl]piperazine
CID 110602324
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 113074210

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine (CID 110412116) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine is CCc1ccc(S(=O)(=O)N2CCN(CCc3ccccc3F)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine?
The InChIKey is QSAFBADMBWSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S2/c1-2-16-7-8-18(24-16)25(22,23)21-13-11-20(12-14-21)10-9-15-5-3-4-6-17(15)19/h3-8H,2,9-14H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine has a molecular weight of 382.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 110412116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).