3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C20H16F2N2O4S — CID 24639827

IUPAC3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1
InChIInChI=1S/C20H16F2N2O4S/c1-28-18-7-5-16(6-8-18)24-29(26,27)19-4-2-3-17(12-19)23-20(25)13-9-14(21)11-15(22)10-13/h2-12,24H,1H3,(H,23,25)
InChIKeyPHNKXJVGPMJTLZ-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.03
Rot. Bonds6

About 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 24639827) has the molecular formula C20H16F2N2O4S and a molecular weight of 418.42 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID24639827
Molecular FormulaC20H16F2N2O4S
Molecular Weight418.42 g/mol
Exact Mass418.08
IUPAC Name3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1
InChIInChI=1S/C20H16F2N2O4S/c1-28-18-7-5-16(6-8-18)24-29(26,27)19-4-2-3-17(12-19)23-20(25)13-9-14(21)11-15(22)10-13/h2-12,24H,1H3,(H,23,25)
InChIKeyPHNKXJVGPMJTLZ-UHFFFAOYSA-N
XLogP4.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 24639827) is 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1.
What is the InChIKey of 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is PHNKXJVGPMJTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4S/c1-28-18-7-5-16(6-8-18)24-29(26,27)19-4-2-3-17(12-19)23-20(25)13-9-14(21)11-15(22)10-13/h2-12,24H,1H3,(H,23,25).
What are the key properties of 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 418.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 24639827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).