2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide

C19H15FN2O2S — CID 6224152

IUPAC2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1F
InChIInChI=1S/C19H15FN2O2S/c20-18-9-1-2-10-19(18)25(23,24)22-17-8-5-6-15(14-17)11-12-16-7-3-4-13-21-16/h1-14,22H/b12-11+
InChIKeyNTIYAFHLHNPUHW-VAWYXSNFSA-N
MW354.41 g/mol
LogP4.19
Rot. Bonds5

About 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide

2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide (PubChem CID 6224152) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
PubChem CID6224152
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1F
InChIInChI=1S/C19H15FN2O2S/c20-18-9-1-2-10-19(18)25(23,24)22-17-8-5-6-15(14-17)11-12-16-7-3-4-13-21-16/h1-14,22H/b12-11+
InChIKeyNTIYAFHLHNPUHW-VAWYXSNFSA-N
XLogP4.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide (CID 6224152) is 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The InChIKey is NTIYAFHLHNPUHW-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-18-9-1-2-10-19(18)25(23,24)22-17-8-5-6-15(14-17)11-12-16-7-3-4-13-21-16/h1-14,22H/b12-11+.
What are the key properties of 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide has a molecular weight of 354.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 6224152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).