2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide

C13H18F2N2O3S — CID 65388013

IUPAC2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
SMILESCC(C)CCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18F2N2O3S/c1-8(2)4-5-17(3)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20)
InChIKeyATVHNNKAZKTSKN-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.73
Rot. Bonds5

About 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide

2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide (PubChem CID 65388013) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
PubChem CID65388013
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
SMILESCC(C)CCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18F2N2O3S/c1-8(2)4-5-17(3)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20)
InChIKeyATVHNNKAZKTSKN-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide?
The IUPAC name of 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide (CID 65388013) is 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide is CC(C)CCN(C)C(=O)c1cc(F)cc(S(N)(=O)=O)c1F.
What is the InChIKey of 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide?
The InChIKey is ATVHNNKAZKTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-8(2)4-5-17(3)13(18)10-6-9(14)7-11(12(10)15)21(16,19)20/h6-8H,4-5H2,1-3H3,(H2,16,19,20).
What are the key properties of 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide?
2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide has a molecular weight of 320.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65388013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).