N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide

C19H16F2N4O5S — CID 1184548

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(OC)n1
InChIInChI=1S/C19H16F2N4O5S/c1-29-16-10-15(23-19(24-16)30-2)25-31(27,28)12-8-6-11(7-9-12)22-18(26)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyHLLZTZOHYOAJAE-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.83
Rot. Bonds7

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide (PubChem CID 1184548) has the molecular formula C19H16F2N4O5S and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide
PubChem CID1184548
Molecular FormulaC19H16F2N4O5S
Molecular Weight450.42 g/mol
Exact Mass450.08
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(OC)n1
InChIInChI=1S/C19H16F2N4O5S/c1-29-16-10-15(23-19(24-16)30-2)25-31(27,28)12-8-6-11(7-9-12)22-18(26)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyHLLZTZOHYOAJAE-UHFFFAOYSA-N
XLogP2.83
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide (CID 1184548) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide?
The InChIKey is HLLZTZOHYOAJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O5S/c1-29-16-10-15(23-19(24-16)30-2)25-31(27,28)12-8-6-11(7-9-12)22-18(26)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide has a molecular weight of 450.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 1184548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).