2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide

C20H14ClF3N2O4S — CID 90466175

IUPAC2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)F)ccc2Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H14ClF3N2O4S/c21-16-9-12(22)5-7-18(16)30-17-6-4-11(19(23)24)8-15(17)20(27)26-13-2-1-3-14(10-13)31(25,28)29/h1-10,19H,(H,26,27)(H2,25,28,29)
InChIKeyMCJSGEHSVNHDJC-UHFFFAOYSA-N
MW470.86 g/mol
LogP5.11
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide

2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 90466175) has the molecular formula C20H14ClF3N2O4S and a molecular weight of 470.86 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
PubChem CID90466175
Molecular FormulaC20H14ClF3N2O4S
Molecular Weight470.86 g/mol
Exact Mass470.03
IUPAC Name2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)F)ccc2Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H14ClF3N2O4S/c21-16-9-12(22)5-7-18(16)30-17-6-4-11(19(23)24)8-15(17)20(27)26-13-2-1-3-14(10-13)31(25,28)29/h1-10,19H,(H,26,27)(H2,25,28,29)
InChIKeyMCJSGEHSVNHDJC-UHFFFAOYSA-N
XLogP5.11
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.86
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide (CID 90466175) is 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)F)ccc2Oc2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is MCJSGEHSVNHDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O4S/c21-16-9-12(22)5-7-18(16)30-17-6-4-11(19(23)24)8-15(17)20(27)26-13-2-1-3-14(10-13)31(25,28)29/h1-10,19H,(H,26,27)(H2,25,28,29).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide?
2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 470.86 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-5-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 90466175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).