3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide

C13H19FN2O4S — CID 82685589

IUPAC3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(OCCO)CC2)c(F)c1
InChIInChI=1S/C13H19FN2O4S/c14-12-9-11(21(15,18)19)1-2-13(12)16-5-3-10(4-6-16)20-8-7-17/h1-2,9-10,17H,3-8H2,(H2,15,18,19)
InChIKeyCPWPMRYZEFOWTH-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.45
Rot. Bonds5

About 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide

3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide (PubChem CID 82685589) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
PubChem CID82685589
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(OCCO)CC2)c(F)c1
InChIInChI=1S/C13H19FN2O4S/c14-12-9-11(21(15,18)19)1-2-13(12)16-5-3-10(4-6-16)20-8-7-17/h1-2,9-10,17H,3-8H2,(H2,15,18,19)
InChIKeyCPWPMRYZEFOWTH-UHFFFAOYSA-N
XLogP0.45
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide (CID 82685589) is 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCC(OCCO)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide?
The InChIKey is CPWPMRYZEFOWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c14-12-9-11(21(15,18)19)1-2-13(12)16-5-3-10(4-6-16)20-8-7-17/h1-2,9-10,17H,3-8H2,(H2,15,18,19).
What are the key properties of 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide?
3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide has a molecular weight of 318.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 82685589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).