5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide

C23H23FN2O3S — CID 4094024

IUPAC5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C23H23FN2O3S/c1-3-18-11-7-8-16(2)22(18)26-23(27)20-14-19(12-13-21(20)24)30(28,29)25-15-17-9-5-4-6-10-17/h4-14,25H,3,15H2,1-2H3,(H,26,27)
InChIKeyAVOBNASLIKUHPJ-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.43
Rot. Bonds7

About 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide

5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide (PubChem CID 4094024) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
PubChem CID4094024
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C23H23FN2O3S/c1-3-18-11-7-8-16(2)22(18)26-23(27)20-14-19(12-13-21(20)24)30(28,29)25-15-17-9-5-4-6-10-17/h4-14,25H,3,15H2,1-2H3,(H,26,27)
InChIKeyAVOBNASLIKUHPJ-UHFFFAOYSA-N
XLogP4.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 5001901
N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide
CID 5158295
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4169421
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126397975
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
ethyl 4-[[[3-[(2-ethyl-6-methylphenyl)carbamoyl]-4-fluorophenyl]sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate
CID 46371328
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide (CID 4094024) is 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide is CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F.
What is the InChIKey of 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide?
The InChIKey is AVOBNASLIKUHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-3-18-11-7-8-16(2)22(18)26-23(27)20-14-19(12-13-21(20)24)30(28,29)25-15-17-9-5-4-6-10-17/h4-14,25H,3,15H2,1-2H3,(H,26,27).
What are the key properties of 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide?
5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide has a molecular weight of 426.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 4094024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).