3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide

C15H20FN3O3S — CID 177115409

IUPAC3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide
SMILESCN(C)c1c(C(N)=O)cc(F)cc1S(=O)(=O)N(C1CC1)C1CC1
InChIInChI=1S/C15H20FN3O3S/c1-18(2)14-12(15(17)20)7-9(16)8-13(14)23(21,22)19(10-3-4-10)11-5-6-11/h7-8,10-11H,3-6H2,1-2H3,(H2,17,20)
InChIKeyKDIAAJGEALATBY-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.31
Rot. Bonds6

About 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide

3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide (PubChem CID 177115409) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide.

Molecular Properties

Compound Name3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide
PubChem CID177115409
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide
SMILESCN(C)c1c(C(N)=O)cc(F)cc1S(=O)(=O)N(C1CC1)C1CC1
InChIInChI=1S/C15H20FN3O3S/c1-18(2)14-12(15(17)20)7-9(16)8-13(14)23(21,22)19(10-3-4-10)11-5-6-11/h7-8,10-11H,3-6H2,1-2H3,(H2,17,20)
InChIKeyKDIAAJGEALATBY-UHFFFAOYSA-N
XLogP1.31
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide?
The IUPAC name of 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide (CID 177115409) is 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide.
What is the SMILES notation for 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide?
The canonical SMILES for 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide is CN(C)c1c(C(N)=O)cc(F)cc1S(=O)(=O)N(C1CC1)C1CC1.
What is the InChIKey of 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide?
The InChIKey is KDIAAJGEALATBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-18(2)14-12(15(17)20)7-9(16)8-13(14)23(21,22)19(10-3-4-10)11-5-6-11/h7-8,10-11H,3-6H2,1-2H3,(H2,17,20).
What are the key properties of 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide?
3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide has a molecular weight of 341.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylsulfamoyl)-2-(dimethylamino)-5-fluorobenzamide is sourced from PubChem (CID 177115409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).