1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine

C16H19F2N3O2S2 — CID 71800904

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
SMILESCn1ccnc1SCC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H19F2N3O2S2/c1-20-10-7-19-16(20)24-11-12-5-8-21(9-6-12)25(22,23)15-13(17)3-2-4-14(15)18/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyWEZCPYIBGXYVLC-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine

1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine (PubChem CID 71800904) has the molecular formula C16H19F2N3O2S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
PubChem CID71800904
Molecular FormulaC16H19F2N3O2S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
SMILESCn1ccnc1SCC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H19F2N3O2S2/c1-20-10-7-19-16(20)24-11-12-5-8-21(9-6-12)25(22,23)15-13(17)3-2-4-14(15)18/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyWEZCPYIBGXYVLC-UHFFFAOYSA-N
XLogP2.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine (CID 71800904) is 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine is Cn1ccnc1SCC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
The InChIKey is WEZCPYIBGXYVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2S2/c1-20-10-7-19-16(20)24-11-12-5-8-21(9-6-12)25(22,23)15-13(17)3-2-4-14(15)18/h2-4,7,10,12H,5-6,8-9,11H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine?
1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine has a molecular weight of 387.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine is sourced from PubChem (CID 71800904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).