5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide

C7H10F2N2O4S3 — CID 43134138

IUPAC5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)F)s1
InChIInChI=1S/C7H10F2N2O4S3/c8-7(9)18(14,15)11-4-3-5-1-2-6(16-5)17(10,12)13/h1-2,7,11H,3-4H2,(H2,10,12,13)
InChIKeyYQFGANMBTHSSDU-UHFFFAOYSA-N
MW320.36 g/mol
LogP0.08
Rot. Bonds6

About 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide

5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 43134138) has the molecular formula C7H10F2N2O4S3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide
PubChem CID43134138
Molecular FormulaC7H10F2N2O4S3
Molecular Weight320.36 g/mol
Exact Mass319.98
IUPAC Name5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)F)s1
InChIInChI=1S/C7H10F2N2O4S3/c8-7(9)18(14,15)11-4-3-5-1-2-6(16-5)17(10,12)13/h1-2,7,11H,3-4H2,(H2,10,12,13)
InChIKeyYQFGANMBTHSSDU-UHFFFAOYSA-N
XLogP0.08
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide (CID 43134138) is 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)F)s1.
What is the InChIKey of 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is YQFGANMBTHSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O4S3/c8-7(9)18(14,15)11-4-3-5-1-2-6(16-5)17(10,12)13/h1-2,7,11H,3-4H2,(H2,10,12,13).
What are the key properties of 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 320.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethylsulfonylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43134138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).