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

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Related Compounds

2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3-(4-fluorophenylsulfonamido)-4-methoxyphenyl)-[1,1'-biphenyl]-4-carboxamide
CID 5020799
3-fluoro-N-(4-methoxyphenyl)benzamide
CID 532009
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
N-(2-fluoro-4-sulfamoylphenyl)-2-(4-methoxyphenyl)acetamide
CID 71764402
2-(4-Methoxyphenyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 1091413
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238

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).