2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

C17H18F2N2O2S — CID 2394228

IUPAC2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O2S/c18-13-8-9-17(14(19)12-13)24(22,23)20-15-6-2-3-7-16(15)21-10-4-1-5-11-21/h2-3,6-9,12,20H,1,4-5,10-11H2
InChIKeyMFMDNZBGNDEGCE-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.76
Rot. Bonds4

About 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 2394228) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID2394228
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O2S/c18-13-8-9-17(14(19)12-13)24(22,23)20-15-6-2-3-7-16(15)21-10-4-1-5-11-21/h2-3,6-9,12,20H,1,4-5,10-11H2
InChIKeyMFMDNZBGNDEGCE-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (CID 2394228) is 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is MFMDNZBGNDEGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-13-8-9-17(14(19)12-13)24(22,23)20-15-6-2-3-7-16(15)21-10-4-1-5-11-21/h2-3,6-9,12,20H,1,4-5,10-11H2.
What are the key properties of 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 352.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2394228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).