5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide

C20H16F2N2O4S — CID 177254612

IUPAC5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide
SMILESCc1cc(F)ccc1Oc1c(C(N)=O)cc(F)cc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H16F2N2O4S/c1-11-7-13(21)5-6-18(11)28-19-16(9-14(22)10-17(19)20(23)25)12-3-2-4-15(8-12)29(24,26)27/h2-10H,1H3,(H2,23,25)(H2,24,26,27)
InChIKeyLWLGCTUIGRAEKQ-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.48
Rot. Bonds5

About 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide

5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide (PubChem CID 177254612) has the molecular formula C20H16F2N2O4S and a molecular weight of 418.42 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide
PubChem CID177254612
Molecular FormulaC20H16F2N2O4S
Molecular Weight418.42 g/mol
Exact Mass418.08
IUPAC Name5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide
SMILESCc1cc(F)ccc1Oc1c(C(N)=O)cc(F)cc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H16F2N2O4S/c1-11-7-13(21)5-6-18(11)28-19-16(9-14(22)10-17(19)20(23)25)12-3-2-4-15(8-12)29(24,26)27/h2-10H,1H3,(H2,23,25)(H2,24,26,27)
InChIKeyLWLGCTUIGRAEKQ-UHFFFAOYSA-N
XLogP3.48
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-fluoro-2-methylphenoxy)pyridine-4-carboxamide
CID 114195706
3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 126731002
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
5-fluoro-2,3-dimethylbenzamide
CID 118990937
5-fluoro-2-(3-phenylphenoxy)benzamide
CID 171776935
3-(2-fluorophenyl)benzenesulfonamide
CID 71091103
5-fluoro-2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 63675113
bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide
CID 175582610
4-fluoro-2-(3-fluoro-4-methylphenyl)benzamide
CID 69129277
ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
CID 144505728
2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175967839
2-(4-fluoro-2-naphthalen-1-yloxyphenoxy)-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56663137

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide (CID 177254612) is 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide is Cc1cc(F)ccc1Oc1c(C(N)=O)cc(F)cc1-c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide?
The InChIKey is LWLGCTUIGRAEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4S/c1-11-7-13(21)5-6-18(11)28-19-16(9-14(22)10-17(19)20(23)25)12-3-2-4-15(8-12)29(24,26)27/h2-10H,1H3,(H2,23,25)(H2,24,26,27).
What are the key properties of 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide?
5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide has a molecular weight of 418.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoro-2-methylphenoxy)-3-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 177254612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).