N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine

C16H17F2N3O2S — CID 45240700

IUPACN-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine
SMILESO=S(=O)(c1cccnc1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H17F2N3O2S/c17-15-6-5-12(9-16(15)18)20-13-3-2-8-21(11-13)24(22,23)14-4-1-7-19-10-14/h1,4-7,9-10,13,20H,2-3,8,11H2
InChIKeyOGGYXWUOVKOCMY-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.62
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine

N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine (PubChem CID 45240700) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine
PubChem CID45240700
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC NameN-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine
SMILESO=S(=O)(c1cccnc1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H17F2N3O2S/c17-15-6-5-12(9-16(15)18)20-13-3-2-8-21(11-13)24(22,23)14-4-1-7-19-10-14/h1,4-7,9-10,13,20H,2-3,8,11H2
InChIKeyOGGYXWUOVKOCMY-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine (CID 45240700) is N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine is O=S(=O)(c1cccnc1)N1CCCC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine?
The InChIKey is OGGYXWUOVKOCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c17-15-6-5-12(9-16(15)18)20-13-3-2-8-21(11-13)24(22,23)14-4-1-7-19-10-14/h1,4-7,9-10,13,20H,2-3,8,11H2.
What are the key properties of N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine?
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine has a molecular weight of 353.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidin-3-amine is sourced from PubChem (CID 45240700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).