1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

C17H20FNO4S3 — CID 90589870

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H20FNO4S3/c1-2-14-5-8-17(24-14)26(22,23)19-11-9-16(10-12-19)25(20,21)15-6-3-13(18)4-7-15/h3-8,16H,2,9-12H2,1H3
InChIKeyKLXQIXZYXNVAOX-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.08
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine

1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 90589870) has the molecular formula C17H20FNO4S3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
PubChem CID90589870
Molecular FormulaC17H20FNO4S3
Molecular Weight417.55 g/mol
Exact Mass417.05
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H20FNO4S3/c1-2-14-5-8-17(24-14)26(22,23)19-11-9-16(10-12-19)25(20,21)15-6-3-13(18)4-7-15/h3-8,16H,2,9-12H2,1H3
InChIKeyKLXQIXZYXNVAOX-UHFFFAOYSA-N
XLogP3.08
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
CID 110639091
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110359006
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198
1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110708849

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine (CID 90589870) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is CCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is KLXQIXZYXNVAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S3/c1-2-14-5-8-17(24-14)26(22,23)19-11-9-16(10-12-19)25(20,21)15-6-3-13(18)4-7-15/h3-8,16H,2,9-12H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 417.55 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 90589870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).