3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide

C19H17FN4O4S — CID 58337637

IUPAC3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C19H17FN4O4S/c1-24(2)29(26,27)18-5-3-4-13(6-18)19(25)23-15-7-14(20)8-16(9-15)28-17-10-21-12-22-11-17/h3-12H,1-2H3,(H,23,25)
InChIKeyIUWGCGAEZMXVTF-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.91
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide

3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 58337637) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
PubChem CID58337637
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Name3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C19H17FN4O4S/c1-24(2)29(26,27)18-5-3-4-13(6-18)19(25)23-15-7-14(20)8-16(9-15)28-17-10-21-12-22-11-17/h3-12H,1-2H3,(H,23,25)
InChIKeyIUWGCGAEZMXVTF-UHFFFAOYSA-N
XLogP2.91
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide (CID 58337637) is 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
The InChIKey is IUWGCGAEZMXVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-24(2)29(26,27)18-5-3-4-13(6-18)19(25)23-15-7-14(20)8-16(9-15)28-17-10-21-12-22-11-17/h3-12H,1-2H3,(H,23,25).
What are the key properties of 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide?
3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide has a molecular weight of 416.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 58337637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).