5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide

C19H16ClFN2O4S — CID 72948158

IUPAC5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cccc3ccccc23)cc1F
InChIInChI=1S/C19H16ClFN2O4S/c1-23(2)28(25,26)22-19(24)14-10-15(20)18(11-16(14)21)27-17-9-5-7-12-6-3-4-8-13(12)17/h3-11H,1-2H3,(H,22,24)
InChIKeyHOMZLPXVFAXUAQ-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.96
Rot. Bonds5

About 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide

5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide (PubChem CID 72948158) has the molecular formula C19H16ClFN2O4S and a molecular weight of 422.87 g/mol. Its IUPAC name is 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide
PubChem CID72948158
Molecular FormulaC19H16ClFN2O4S
Molecular Weight422.87 g/mol
Exact Mass422.05
IUPAC Name5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cccc3ccccc23)cc1F
InChIInChI=1S/C19H16ClFN2O4S/c1-23(2)28(25,26)22-19(24)14-10-15(20)18(11-16(14)21)27-17-9-5-7-12-6-3-4-8-13(12)17/h3-11H,1-2H3,(H,22,24)
InChIKeyHOMZLPXVFAXUAQ-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide?
The IUPAC name of 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide (CID 72948158) is 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide.
What is the SMILES notation for 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide?
The canonical SMILES for 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide is CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cccc3ccccc23)cc1F.
What is the InChIKey of 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide?
The InChIKey is HOMZLPXVFAXUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4S/c1-23(2)28(25,26)22-19(24)14-10-15(20)18(11-16(14)21)27-17-9-5-7-12-6-3-4-8-13(12)17/h3-11H,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide?
5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide has a molecular weight of 422.87 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-naphthalen-1-yloxybenzamide is sourced from PubChem (CID 72948158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).