2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide

C23H21F2N3O3S — CID 5182299

IUPAC2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1c(F)cccc1F
InChIInChI=1S/C23H21F2N3O3S/c24-19-6-3-7-20(25)22(19)23(29)27-17-9-11-18(12-10-17)32(30,31)28-14-2-1-8-21(28)16-5-4-13-26-15-16/h3-7,9-13,15,21H,1-2,8,14H2,(H,27,29)
InChIKeyDLJIVCXAMUACER-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.53
Rot. Bonds5

About 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide

2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 5182299) has the molecular formula C23H21F2N3O3S and a molecular weight of 457.50 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID5182299
Molecular FormulaC23H21F2N3O3S
Molecular Weight457.50 g/mol
Exact Mass457.13
IUPAC Name2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1c(F)cccc1F
InChIInChI=1S/C23H21F2N3O3S/c24-19-6-3-7-20(25)22(19)23(29)27-17-9-11-18(12-10-17)32(30,31)28-14-2-1-8-21(28)16-5-4-13-26-15-16/h3-7,9-13,15,21H,1-2,8,14H2,(H,27,29)
InChIKeyDLJIVCXAMUACER-UHFFFAOYSA-N
XLogP4.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
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CID 812621

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 5182299) is 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is DLJIVCXAMUACER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3S/c24-19-6-3-7-20(25)22(19)23(29)27-17-9-11-18(12-10-17)32(30,31)28-14-2-1-8-21(28)16-5-4-13-26-15-16/h3-7,9-13,15,21H,1-2,8,14H2,(H,27,29).
What are the key properties of 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 457.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 5182299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).