1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole

C19H18F2N2O2S — CID 10177537

IUPAC1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole
SMILESO=S(=O)(c1ccc(F)c(F)c1)n1cc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C19H18F2N2O2S/c20-17-8-7-14(10-18(17)21)26(24,25)23-12-16(13-4-3-9-22-11-13)15-5-1-2-6-19(15)23/h1-2,5-8,10,12-13,22H,3-4,9,11H2
InChIKeyWYIXSNCSCVYJDE-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.62
Rot. Bonds3

About 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole

1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole (PubChem CID 10177537) has the molecular formula C19H18F2N2O2S and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole
PubChem CID10177537
Molecular FormulaC19H18F2N2O2S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole
SMILESO=S(=O)(c1ccc(F)c(F)c1)n1cc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C19H18F2N2O2S/c20-17-8-7-14(10-18(17)21)26(24,25)23-12-16(13-4-3-9-22-11-13)15-5-1-2-6-19(15)23/h1-2,5-8,10,12-13,22H,3-4,9,11H2
InChIKeyWYIXSNCSCVYJDE-UHFFFAOYSA-N
XLogP3.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole (CID 10177537) is 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole is O=S(=O)(c1ccc(F)c(F)c1)n1cc(C2CCCNC2)c2ccccc21.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole?
The InChIKey is WYIXSNCSCVYJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2S/c20-17-8-7-14(10-18(17)21)26(24,25)23-12-16(13-4-3-9-22-11-13)15-5-1-2-6-19(15)23/h1-2,5-8,10,12-13,22H,3-4,9,11H2.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole?
1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole has a molecular weight of 376.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-3-piperidin-3-ylindole is sourced from PubChem (CID 10177537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).