3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C20H15F3N2O4S — CID 155804194

IUPAC3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)c(F)c1
InChIInChI=1S/C20H15F3N2O4S/c1-29-16-5-6-19(18(23)11-16)25-30(27,28)17-4-2-3-15(10-17)24-20(26)12-7-13(21)9-14(22)8-12/h2-11,25H,1H3,(H,24,26)
InChIKeyNWMPDNCLCRMZII-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.17
Rot. Bonds6

About 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide

3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 155804194) has the molecular formula C20H15F3N2O4S and a molecular weight of 436.41 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID155804194
Molecular FormulaC20H15F3N2O4S
Molecular Weight436.41 g/mol
Exact Mass436.07
IUPAC Name3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)c(F)c1
InChIInChI=1S/C20H15F3N2O4S/c1-29-16-5-6-19(18(23)11-16)25-30(27,28)17-4-2-3-15(10-17)24-20(26)12-7-13(21)9-14(22)8-12/h2-11,25H,1H3,(H,24,26)
InChIKeyNWMPDNCLCRMZII-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 155804194) is 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is NWMPDNCLCRMZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4S/c1-29-16-5-6-19(18(23)11-16)25-30(27,28)17-4-2-3-15(10-17)24-20(26)12-7-13(21)9-14(22)8-12/h2-11,25H,1H3,(H,24,26).
What are the key properties of 3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
3,5-difluoro-N-[3-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 436.41 g/mol, XLogP of 4.17, 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-[(2-fluoro-4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 155804194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).