3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide

C17H19FN2O3S — CID 8744874

IUPAC3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-17(2,3)20-24(22,23)15-6-4-5-12(11-15)16(21)19-14-9-7-13(18)8-10-14/h4-11,20H,1-3H3,(H,19,21)
InChIKeyGYMLTJKJFNENIM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.15
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide

3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide (PubChem CID 8744874) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide
PubChem CID8744874
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-17(2,3)20-24(22,23)15-6-4-5-12(11-15)16(21)19-14-9-7-13(18)8-10-14/h4-11,20H,1-3H3,(H,19,21)
InChIKeyGYMLTJKJFNENIM-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide (CID 8744874) is 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide is CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide?
The InChIKey is GYMLTJKJFNENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-17(2,3)20-24(22,23)15-6-4-5-12(11-15)16(21)19-14-9-7-13(18)8-10-14/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide?
3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 8744874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).