N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide

C12H16F2N2O3S — CID 84585768

IUPACN-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide
SMILESCCN(CC)S(=O)(=O)NC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C12H16F2N2O3S/c1-4-16(5-2)20(18,19)15-12(17)9-6-8(3)10(13)7-11(9)14/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyVLQNUKYORWKGQL-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.59
Rot. Bonds5

About N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide

N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide (PubChem CID 84585768) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide
PubChem CID84585768
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC NameN-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide
SMILESCCN(CC)S(=O)(=O)NC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C12H16F2N2O3S/c1-4-16(5-2)20(18,19)15-12(17)9-6-8(3)10(13)7-11(9)14/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyVLQNUKYORWKGQL-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide (CID 84585768) is N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide is CCN(CC)S(=O)(=O)NC(=O)c1cc(C)c(F)cc1F.
What is the InChIKey of N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide?
The InChIKey is VLQNUKYORWKGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-4-16(5-2)20(18,19)15-12(17)9-6-8(3)10(13)7-11(9)14/h6-7H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide?
N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide has a molecular weight of 306.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylsulfamoyl)-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 84585768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).