N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide

C4H7F5N2O4S2 — CID 87996733

IUPACN-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H7F5N2O4S2/c1-11(2)17(14,15)10-16(12,13)4(8,9)3(5,6)7/h10H,1-2H3
InChIKeyVMKGPHJLGBDSFF-UHFFFAOYSA-N
MW306.23 g/mol
LogP-0.13
Rot. Bonds4

About N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide

N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 87996733) has the molecular formula C4H7F5N2O4S2 and a molecular weight of 306.23 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID87996733
Molecular FormulaC4H7F5N2O4S2
Molecular Weight306.23 g/mol
Exact Mass305.98
IUPAC NameN-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H7F5N2O4S2/c1-11(2)17(14,15)10-16(12,13)4(8,9)3(5,6)7/h10H,1-2H3
InChIKeyVMKGPHJLGBDSFF-UHFFFAOYSA-N
XLogP-0.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide (CID 87996733) is N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide is CN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is VMKGPHJLGBDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F5N2O4S2/c1-11(2)17(14,15)10-16(12,13)4(8,9)3(5,6)7/h10H,1-2H3.
What are the key properties of N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 306.23 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 87996733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).