N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide

C21H17ClF2N2O4S — CID 4125906

IUPACN-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3F)c2)cc1
InChIInChI=1S/C21H17ClF2N2O4S/c1-30-15-5-2-13(3-6-15)12-25-31(28,29)16-7-8-18(23)17(11-16)21(27)26-20-9-4-14(22)10-19(20)24/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyPOYFASMBOUQHMX-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.36
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide

N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide (PubChem CID 4125906) has the molecular formula C21H17ClF2N2O4S and a molecular weight of 466.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
PubChem CID4125906
Molecular FormulaC21H17ClF2N2O4S
Molecular Weight466.89 g/mol
Exact Mass466.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3F)c2)cc1
InChIInChI=1S/C21H17ClF2N2O4S/c1-30-15-5-2-13(3-6-15)12-25-31(28,29)16-7-8-18(23)17(11-16)21(27)26-20-9-4-14(22)10-19(20)24/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyPOYFASMBOUQHMX-UHFFFAOYSA-N
XLogP4.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide (CID 4125906) is N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide is COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3F)c2)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The InChIKey is POYFASMBOUQHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4S/c1-30-15-5-2-13(3-6-15)12-25-31(28,29)16-7-8-18(23)17(11-16)21(27)26-20-9-4-14(22)10-19(20)24/h2-11,25H,12H2,1H3,(H,26,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide has a molecular weight of 466.89 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-fluoro-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 4125906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).