1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium

C15H18FN2O2S2+ — CID 7029027

IUPAC1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
SMILESO=S(=O)(c1cccs1)N1CC[NH+](Cc2ccccc2F)CC1
InChIInChI=1S/C15H17FN2O2S2/c16-14-5-2-1-4-13(14)12-17-7-9-18(10-8-17)22(19,20)15-6-3-11-21-15/h1-6,11H,7-10,12H2/p+1
InChIKeyBMWBPFVATPBHJD-UHFFFAOYSA-O
MW341.45 g/mol
LogP0.98
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium

1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium (PubChem CID 7029027) has the molecular formula C15H18FN2O2S2+ and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
PubChem CID7029027
Molecular FormulaC15H18FN2O2S2+
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC Name1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
SMILESO=S(=O)(c1cccs1)N1CC[NH+](Cc2ccccc2F)CC1
InChIInChI=1S/C15H17FN2O2S2/c16-14-5-2-1-4-13(14)12-17-7-9-18(10-8-17)22(19,20)15-6-3-11-21-15/h1-6,11H,7-10,12H2/p+1
InChIKeyBMWBPFVATPBHJD-UHFFFAOYSA-O
XLogP0.98
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
1-[2-(2-fluorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
CID 8553395
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
1-[(2-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium
CID 7028127
5-phenyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole
CID 8686853
2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole
CID 8686777
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857
1-thiophen-2-ylsulfonylpiperidine
CID 765823
7-methoxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one
CID 2495784
2-thiophen-3-yl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole
CID 8687190
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium (CID 7029027) is 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium is O=S(=O)(c1cccs1)N1CC[NH+](Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium?
The InChIKey is BMWBPFVATPBHJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17FN2O2S2/c16-14-5-2-1-4-13(14)12-17-7-9-18(10-8-17)22(19,20)15-6-3-11-21-15/h1-6,11H,7-10,12H2/p+1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium?
1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium has a molecular weight of 341.45 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium is sourced from PubChem (CID 7029027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).