[1-(difluoromethyl)imidazol-2-yl]methanesulfonamide

C5H7F2N3O2S — CID 114763859

IUPAC[1-(difluoromethyl)imidazol-2-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1nccn1C(F)F
InChIInChI=1S/C5H7F2N3O2S/c6-5(7)10-2-1-9-4(10)3-13(8,11)12/h1-2,5H,3H2,(H2,8,11,12)
InChIKeyUFOGXKZXTSUURJ-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.07
Rot. Bonds3

About [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide

[1-(difluoromethyl)imidazol-2-yl]methanesulfonamide (PubChem CID 114763859) has the molecular formula C5H7F2N3O2S and a molecular weight of 211.19 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-2-yl]methanesulfonamide
PubChem CID114763859
Molecular FormulaC5H7F2N3O2S
Molecular Weight211.19 g/mol
Exact Mass211.02
IUPAC Name[1-(difluoromethyl)imidazol-2-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1nccn1C(F)F
InChIInChI=1S/C5H7F2N3O2S/c6-5(7)10-2-1-9-4(10)3-13(8,11)12/h1-2,5H,3H2,(H2,8,11,12)
InChIKeyUFOGXKZXTSUURJ-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-2-(2-thiophen-2-ylethylsulfonylmethyl)imidazole
CID 126770786
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 82913121
1-(difluoromethyl)-2-(3-methylbutyl)imidazole
CID 170928418
2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 37309106
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
2-bromo-1-(difluoromethyl)imidazole
CID 155822613
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]aniline
CID 43144094
6-chloro-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-4-one
CID 114582317
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 37309071
1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole
CID 71909756
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylsulfinylethanamine
CID 115641707

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide (CID 114763859) is [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide is NS(=O)(=O)Cc1nccn1C(F)F.
What is the InChIKey of [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide?
The InChIKey is UFOGXKZXTSUURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O2S/c6-5(7)10-2-1-9-4(10)3-13(8,11)12/h1-2,5H,3H2,(H2,8,11,12).
What are the key properties of [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide?
[1-(difluoromethyl)imidazol-2-yl]methanesulfonamide has a molecular weight of 211.19 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)imidazol-2-yl]methanesulfonamide is sourced from PubChem (CID 114763859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).