N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide

C21H27FN2O3S — CID 39482944

IUPACN-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H27FN2O3S/c1-4-16(5-2)15-24(6-3)21(25)17-11-13-18(14-12-17)28(26,27)23-20-10-8-7-9-19(20)22/h7-14,16,23H,4-6,15H2,1-3H3
InChIKeyNHZZGULUBKIOIO-UHFFFAOYSA-N
MW406.52 g/mol
LogP4.52
Rot. Bonds9

About N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide

N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 39482944) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID39482944
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC NameN-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H27FN2O3S/c1-4-16(5-2)15-24(6-3)21(25)17-11-13-18(14-12-17)28(26,27)23-20-10-8-7-9-19(20)22/h7-14,16,23H,4-6,15H2,1-3H3
InChIKeyNHZZGULUBKIOIO-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide (CID 39482944) is N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide is CCC(CC)CN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is NHZZGULUBKIOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c1-4-16(5-2)15-24(6-3)21(25)17-11-13-18(14-12-17)28(26,27)23-20-10-8-7-9-19(20)22/h7-14,16,23H,4-6,15H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide?
N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 406.52 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 39482944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).