1-(difluoromethyl)imidazole-4-sulfonamide

C4H5F2N3O2S — CID 81339703

IUPAC1-(difluoromethyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(C(F)F)cn1
InChIInChI=1S/C4H5F2N3O2S/c5-4(6)9-1-3(8-2-9)12(7,10)11/h1-2,4H,(H2,7,10,11)
InChIKeyGHCXZGVCVDAIEO-UHFFFAOYSA-N
MW197.17 g/mol
LogP-0.07
Rot. Bonds2

About 1-(difluoromethyl)imidazole-4-sulfonamide

1-(difluoromethyl)imidazole-4-sulfonamide (PubChem CID 81339703) has the molecular formula C4H5F2N3O2S and a molecular weight of 197.17 g/mol. Its IUPAC name is 1-(difluoromethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)imidazole-4-sulfonamide
PubChem CID81339703
Molecular FormulaC4H5F2N3O2S
Molecular Weight197.17 g/mol
Exact Mass197.01
IUPAC Name1-(difluoromethyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(C(F)F)cn1
InChIInChI=1S/C4H5F2N3O2S/c5-4(6)9-1-3(8-2-9)12(7,10)11/h1-2,4H,(H2,7,10,11)
InChIKeyGHCXZGVCVDAIEO-UHFFFAOYSA-N
XLogP-0.07
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)imidazole-4-sulfonamide (CID 81339703) is 1-(difluoromethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)imidazole-4-sulfonamide is NS(=O)(=O)c1cn(C(F)F)cn1.
What is the InChIKey of 1-(difluoromethyl)imidazole-4-sulfonamide?
The InChIKey is GHCXZGVCVDAIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3O2S/c5-4(6)9-1-3(8-2-9)12(7,10)11/h1-2,4H,(H2,7,10,11).
What are the key properties of 1-(difluoromethyl)imidazole-4-sulfonamide?
1-(difluoromethyl)imidazole-4-sulfonamide has a molecular weight of 197.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 81339703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).