3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C13H13FN2O2S — CID 18086450

IUPAC3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C13H13FN2O2S/c1-10(13-7-2-3-8-15-13)16-19(17,18)12-6-4-5-11(14)9-12/h2-10,16H,1H3
InChIKeyRKHOTKUJKDMZIM-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.26
Rot. Bonds4

About 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide

3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 18086450) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID18086450
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C13H13FN2O2S/c1-10(13-7-2-3-8-15-13)16-19(17,18)12-6-4-5-11(14)9-12/h2-10,16H,1H3
InChIKeyRKHOTKUJKDMZIM-UHFFFAOYSA-N
XLogP2.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
3-nitro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724474
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43298053
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide
CID 106022878

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 18086450) is 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(F)c1)c1ccccn1.
What is the InChIKey of 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is RKHOTKUJKDMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-10(13-7-2-3-8-15-13)16-19(17,18)12-6-4-5-11(14)9-12/h2-10,16H,1H3.
What are the key properties of 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 18086450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).