1-(2,2-difluoroethyl)imidazole-4-sulfonamide

C5H7F2N3O2S — CID 81340351

IUPAC1-(2,2-difluoroethyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(F)F)cn1
InChIInChI=1S/C5H7F2N3O2S/c6-4(7)1-10-2-5(9-3-10)13(8,11)12/h2-4H,1H2,(H2,8,11,12)
InChIKeyBQWXJADWMGOMME-UHFFFAOYSA-N
MW211.19 g/mol
LogP-0.20
Rot. Bonds3

About 1-(2,2-difluoroethyl)imidazole-4-sulfonamide

1-(2,2-difluoroethyl)imidazole-4-sulfonamide (PubChem CID 81340351) has the molecular formula C5H7F2N3O2S and a molecular weight of 211.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)imidazole-4-sulfonamide
PubChem CID81340351
Molecular FormulaC5H7F2N3O2S
Molecular Weight211.19 g/mol
Exact Mass211.02
IUPAC Name1-(2,2-difluoroethyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(F)F)cn1
InChIInChI=1S/C5H7F2N3O2S/c6-4(7)1-10-2-5(9-3-10)13(8,11)12/h2-4H,1H2,(H2,8,11,12)
InChIKeyBQWXJADWMGOMME-UHFFFAOYSA-N
XLogP-0.20
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)imidazole-4-sulfonamide (CID 81340351) is 1-(2,2-difluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)imidazole-4-sulfonamide is NS(=O)(=O)c1cn(CC(F)F)cn1.
What is the InChIKey of 1-(2,2-difluoroethyl)imidazole-4-sulfonamide?
The InChIKey is BQWXJADWMGOMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O2S/c6-4(7)1-10-2-5(9-3-10)13(8,11)12/h2-4H,1H2,(H2,8,11,12).
What are the key properties of 1-(2,2-difluoroethyl)imidazole-4-sulfonamide?
1-(2,2-difluoroethyl)imidazole-4-sulfonamide has a molecular weight of 211.19 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81340351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).