N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide

C19H16FN3O4S — CID 24742235

IUPACN-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
SMILESCS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C19H16FN3O4S/c1-28(25,26)17-11-15(20)7-6-14(17)12-23-18(24)13-4-2-5-16(10-13)27-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyBIXLIHFMASIOLD-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.74
Rot. Bonds6

About N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide

N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide (PubChem CID 24742235) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
PubChem CID24742235
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC NameN-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
SMILESCS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C19H16FN3O4S/c1-28(25,26)17-11-15(20)7-6-14(17)12-23-18(24)13-4-2-5-16(10-13)27-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyBIXLIHFMASIOLD-UHFFFAOYSA-N
XLogP2.74
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298534
N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298634
US10450297, Example 47
CID 57584801
3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1072404
4-{[3-(3-methoxyphenyl)-3-oxo-1-propen-1-yl]amino}-N-2-pyrimidinylbenzenesulfonamide
CID 1926462
N-(2,4-difluorophenyl)-3-(pyrimidin-2-yloxy)benzamide
CID 52417100
3,5-dimethoxy-N-(2-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}ethyl)benzamide
CID 25285333
N-butyl-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}benzamide
CID 46388745
3-{[2-(4-fluorophenyl)-4-pyrimidinyl]oxy}-N-isobutylbenzamide
CID 46388746
3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}-N-propylbenzamide
CID 46388749
N-cyclohexyl-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}benzamide
CID 46388751

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide (CID 24742235) is N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide is CS(=O)(=O)c1cc(F)ccc1CNC(=O)c1cccc(Oc2ncccn2)c1.
What is the InChIKey of N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The InChIKey is BIXLIHFMASIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c1-28(25,26)17-11-15(20)7-6-14(17)12-23-18(24)13-4-2-5-16(10-13)27-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide has a molecular weight of 401.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 24742235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).