2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide

C17H24F2N2O3S — CID 121109584

IUPAC2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2O3S/c18-14-1-2-16(19)17(11-14)25(22,23)20-12-13-3-7-21(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15,20H,3-10,12H2
InChIKeySDFBJROHYVJZAM-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.13
Rot. Bonds5

About 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide

2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 121109584) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID121109584
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2O3S/c18-14-1-2-16(19)17(11-14)25(22,23)20-12-13-3-7-21(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15,20H,3-10,12H2
InChIKeySDFBJROHYVJZAM-UHFFFAOYSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide (CID 121109584) is 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is SDFBJROHYVJZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c18-14-1-2-16(19)17(11-14)25(22,23)20-12-13-3-7-21(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15,20H,3-10,12H2.
What are the key properties of 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 374.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121109584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).