5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide

C17H17F3N2O3S — CID 4115155

IUPAC5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F3N2O3S/c1-3-10(2)22-26(24,25)12-5-7-14(18)13(9-12)17(23)21-11-4-6-15(19)16(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyBBLXLHYPDOMJMO-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.43
Rot. Bonds6

About 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide

5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide (PubChem CID 4115155) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
PubChem CID4115155
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F3N2O3S/c1-3-10(2)22-26(24,25)12-5-7-14(18)13(9-12)17(23)21-11-4-6-15(19)16(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyBBLXLHYPDOMJMO-UHFFFAOYSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The IUPAC name of 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide (CID 4115155) is 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide is CCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The InChIKey is BBLXLHYPDOMJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-3-10(2)22-26(24,25)12-5-7-14(18)13(9-12)17(23)21-11-4-6-15(19)16(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23).
What are the key properties of 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide?
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide has a molecular weight of 386.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 4115155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).