2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide

C16H12FN3O3S — CID 71799819

IUPAC2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2)nc1)c1ccccc1F
InChIInChI=1S/C16H12FN3O3S/c17-14-8-4-5-9-15(14)24(21,22)20-12-10-18-16(19-11-12)23-13-6-2-1-3-7-13/h1-11,20H
InChIKeyGDRWUVNPMLNWNX-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.21
Rot. Bonds5

About 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide

2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide (PubChem CID 71799819) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
PubChem CID71799819
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC Name2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2)nc1)c1ccccc1F
InChIInChI=1S/C16H12FN3O3S/c17-14-8-4-5-9-15(14)24(21,22)20-12-10-18-16(19-11-12)23-13-6-2-1-3-7-13/h1-11,20H
InChIKeyGDRWUVNPMLNWNX-UHFFFAOYSA-N
XLogP3.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide (CID 71799819) is 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide is O=S(=O)(Nc1cnc(Oc2ccccc2)nc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The InChIKey is GDRWUVNPMLNWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c17-14-8-4-5-9-15(14)24(21,22)20-12-10-18-16(19-11-12)23-13-6-2-1-3-7-13/h1-11,20H.
What are the key properties of 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide has a molecular weight of 345.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 71799819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).