2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

C17H16F2N2O3S — CID 7636284

IUPAC2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCCN1c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H16F2N2O3S/c18-12-7-8-15(19)16(10-12)25(23,24)20-13-4-3-5-14(11-13)21-9-2-1-6-17(21)22/h3-5,7-8,10-11,20H,1-2,6,9H2
InChIKeyILVJEJBZYIPQOZ-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.28
Rot. Bonds4

About 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7636284) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7636284
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESO=C1CCCCN1c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H16F2N2O3S/c18-12-7-8-15(19)16(10-12)25(23,24)20-13-4-3-5-14(11-13)21-9-2-1-6-17(21)22/h3-5,7-8,10-11,20H,1-2,6,9H2
InChIKeyILVJEJBZYIPQOZ-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 7636284) is 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is O=C1CCCCN1c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is ILVJEJBZYIPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-12-7-8-15(19)16(10-12)25(23,24)20-13-4-3-5-14(11-13)21-9-2-1-6-17(21)22/h3-5,7-8,10-11,20H,1-2,6,9H2.
What are the key properties of 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 366.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7636284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).