4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide

C18H21FN2O3S — CID 33247250

IUPAC4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-18(2,3)21-25(23,24)15-10-8-13(9-11-15)17(22)20-12-14-6-4-5-7-16(14)19/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKeyVKWSFWWMIHXBKD-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.83
Rot. Bonds5

About 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide

4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 33247250) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID33247250
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-18(2,3)21-25(23,24)15-10-8-13(9-11-15)17(22)20-12-14-6-4-5-7-16(14)19/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKeyVKWSFWWMIHXBKD-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 24536886
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CID 31528348

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide (CID 33247250) is 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is VKWSFWWMIHXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-18(2,3)21-25(23,24)15-10-8-13(9-11-15)17(22)20-12-14-6-4-5-7-16(14)19/h4-11,21H,12H2,1-3H3,(H,20,22).
What are the key properties of 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide?
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 364.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 33247250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).