N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide

C18H17F5N2O3S — CID 2353092

IUPACN-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H17F5N2O3S/c1-4-25(5-2)29(27,28)11-8-9(3)6-7-10(11)24-18(26)12-13(19)15(21)17(23)16(22)14(12)20/h6-8H,4-5H2,1-3H3,(H,24,26)
InChIKeyVBYPSMWJCSMALV-UHFFFAOYSA-N
MW436.40 g/mol
LogP3.97
Rot. Bonds6

About N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide

N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2353092) has the molecular formula C18H17F5N2O3S and a molecular weight of 436.40 g/mol. Its IUPAC name is N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide
PubChem CID2353092
Molecular FormulaC18H17F5N2O3S
Molecular Weight436.40 g/mol
Exact Mass436.09
IUPAC NameN-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H17F5N2O3S/c1-4-25(5-2)29(27,28)11-8-9(3)6-7-10(11)24-18(26)12-13(19)15(21)17(23)16(22)14(12)20/h6-8H,4-5H2,1-3H3,(H,24,26)
InChIKeyVBYPSMWJCSMALV-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide (CID 2353092) is N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide is CCN(CC)S(=O)(=O)c1cc(C)ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is VBYPSMWJCSMALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2O3S/c1-4-25(5-2)29(27,28)11-8-9(3)6-7-10(11)24-18(26)12-13(19)15(21)17(23)16(22)14(12)20/h6-8H,4-5H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide?
N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 436.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylsulfamoyl)-4-methylphenyl]-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2353092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).