4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine

C17H24FNO4S2 — CID 174520335

IUPAC4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine
SMILESCS(=O)(=O)c1ccc(C=CCS(=O)(=O)CCC2(F)CCNCC2)cc1
InChIInChI=1S/C17H24FNO4S2/c1-24(20,21)16-6-4-15(5-7-16)3-2-13-25(22,23)14-10-17(18)8-11-19-12-9-17/h2-7,19H,8-14H2,1H3
InChIKeyDJITUARZUYMGTF-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.00
Rot. Bonds7

About 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine

4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine (PubChem CID 174520335) has the molecular formula C17H24FNO4S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine
PubChem CID174520335
Molecular FormulaC17H24FNO4S2
Molecular Weight389.51 g/mol
Exact Mass389.11
IUPAC Name4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine
SMILESCS(=O)(=O)c1ccc(C=CCS(=O)(=O)CCC2(F)CCNCC2)cc1
InChIInChI=1S/C17H24FNO4S2/c1-24(20,21)16-6-4-15(5-7-16)3-2-13-25(22,23)14-10-17(18)8-11-19-12-9-17/h2-7,19H,8-14H2,1H3
InChIKeyDJITUARZUYMGTF-UHFFFAOYSA-N
XLogP2.00
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4547646
3-(3-(Methylsulfonyl)phenyl)piperidine
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4-(4-Methylbenzenesulfonyl)piperidine hydrochloride
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4-{[3-(Trifluoromethyl)phenyl]sulfonyl}piperidine hydrochloride
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4-(4-Fluorobenzenesulfonyl)piperidine
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1-[2-(4-Methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
CID 2822183
1-((3-Fluorobenzyl)sulfonyl)-4-(methylsulfonyl)piperidine
CID 71805709
1-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(methylsulfonyl)piperidine
CID 71805710
p-Toluenesulfonate piperidinium
CID 57350464
(Z)-3-fluoro-4-tosylbut-2-en-1-amine
CID 146317708
1-(4-fluorophenyl)-N-[3-(4-methylsulfonylphenyl)propyl]propan-2-amine
CID 155119403

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine?
The IUPAC name of 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine (CID 174520335) is 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine?
The canonical SMILES for 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine is CS(=O)(=O)c1ccc(C=CCS(=O)(=O)CCC2(F)CCNCC2)cc1.
What is the InChIKey of 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine?
The InChIKey is DJITUARZUYMGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4S2/c1-24(20,21)16-6-4-15(5-7-16)3-2-13-25(22,23)14-10-17(18)8-11-19-12-9-17/h2-7,19H,8-14H2,1H3.
What are the key properties of 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine?
4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine has a molecular weight of 389.51 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-[3-(4-methylsulfonylphenyl)prop-2-enylsulfonyl]ethyl]piperidine is sourced from PubChem (CID 174520335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).