2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide

C15H22F2N2O3S — CID 75387066

IUPAC2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCCCN2CCC(O)CC2)cc1F
InChIInChI=1S/C15H22F2N2O3S/c1-11-9-14(17)15(10-13(11)16)23(21,22)18-5-2-6-19-7-3-12(20)4-8-19/h9-10,12,18,20H,2-8H2,1H3
InChIKeyFXPVYZORURSGPW-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.40
Rot. Bonds6

About 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide

2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 75387066) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID75387066
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCCCN2CCC(O)CC2)cc1F
InChIInChI=1S/C15H22F2N2O3S/c1-11-9-14(17)15(10-13(11)16)23(21,22)18-5-2-6-19-7-3-12(20)4-8-19/h9-10,12,18,20H,2-8H2,1H3
InChIKeyFXPVYZORURSGPW-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide (CID 75387066) is 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide is Cc1cc(F)c(S(=O)(=O)NCCCN2CCC(O)CC2)cc1F.
What is the InChIKey of 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is FXPVYZORURSGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-11-9-14(17)15(10-13(11)16)23(21,22)18-5-2-6-19-7-3-12(20)4-8-19/h9-10,12,18,20H,2-8H2,1H3.
What are the key properties of 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide?
2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75387066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).