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

C18H14FN3O3S — CID 157415689

IUPACN-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)c1cc(-c2ncccn2)ccc1F
InChIInChI=1S/C18H14FN3O3S/c19-16-8-7-13(18-20-9-4-10-21-18)11-15(16)17(23)12-22-26(24,25)14-5-2-1-3-6-14/h1-11,22H,12H2
InChIKeyBOUWRCCIHHAMLA-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.44
Rot. Bonds6

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

N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 157415689) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID157415689
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC NameN-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)c1cc(-c2ncccn2)ccc1F
InChIInChI=1S/C18H14FN3O3S/c19-16-8-7-13(18-20-9-4-10-21-18)11-15(16)17(23)12-22-26(24,25)14-5-2-1-3-6-14/h1-11,22H,12H2
InChIKeyBOUWRCCIHHAMLA-UHFFFAOYSA-N
XLogP2.44
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide (CID 157415689) is N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1)c1cc(-c2ncccn2)ccc1F.
What is the InChIKey of N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is BOUWRCCIHHAMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-16-8-7-13(18-20-9-4-10-21-18)11-15(16)17(23)12-22-26(24,25)14-5-2-1-3-6-14/h1-11,22H,12H2.
What are the key properties of N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 371.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 157415689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).