2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide

C19H16FN3O4S — CID 158816186

IUPAC2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1cc(C(=O)CNS(=O)(=O)c2ccccc2F)cc(-c2ncccn2)c1
InChIInChI=1S/C19H16FN3O4S/c1-27-15-10-13(9-14(11-15)19-21-7-4-8-22-19)17(24)12-23-28(25,26)18-6-3-2-5-16(18)20/h2-11,23H,12H2,1H3
InChIKeyIVHIYLHVMJGCEP-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.45
Rot. Bonds7

About 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide

2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 158816186) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID158816186
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC Name2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1cc(C(=O)CNS(=O)(=O)c2ccccc2F)cc(-c2ncccn2)c1
InChIInChI=1S/C19H16FN3O4S/c1-27-15-10-13(9-14(11-15)19-21-7-4-8-22-19)17(24)12-23-28(25,26)18-6-3-2-5-16(18)20/h2-11,23H,12H2,1H3
InChIKeyIVHIYLHVMJGCEP-UHFFFAOYSA-N
XLogP2.45
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide (CID 158816186) is 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide is COc1cc(C(=O)CNS(=O)(=O)c2ccccc2F)cc(-c2ncccn2)c1.
What is the InChIKey of 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is IVHIYLHVMJGCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c1-27-15-10-13(9-14(11-15)19-21-7-4-8-22-19)17(24)12-23-28(25,26)18-6-3-2-5-16(18)20/h2-11,23H,12H2,1H3.
What are the key properties of 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 401.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 158816186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).