2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide

C19H16ClFN2O4S — CID 3271562

IUPAC2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C19H16ClFN2O4S/c1-23(14-6-4-13(21)5-7-14)28(25,26)16-8-9-18(20)17(11-16)19(24)22-12-15-3-2-10-27-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyZIRRSDDSEXJZJL-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.83
Rot. Bonds6

About 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 3271562) has the molecular formula C19H16ClFN2O4S and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID3271562
Molecular FormulaC19H16ClFN2O4S
Molecular Weight422.87 g/mol
Exact Mass422.05
IUPAC Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C19H16ClFN2O4S/c1-23(14-6-4-13(21)5-7-14)28(25,26)16-8-9-18(20)17(11-16)19(24)22-12-15-3-2-10-27-15/h2-11H,12H2,1H3,(H,22,24)
InChIKeyZIRRSDDSEXJZJL-UHFFFAOYSA-N
XLogP3.83
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide (CID 3271562) is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZIRRSDDSEXJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4S/c1-23(14-6-4-13(21)5-7-14)28(25,26)16-8-9-18(20)17(11-16)19(24)22-12-15-3-2-10-27-15/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide?
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 422.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 3271562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).