1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride

C8H7ClF2N4O2S — CID 82911189

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2nccn2C(F)F)c1
InChIInChI=1S/C8H7ClF2N4O2S/c9-18(16,17)6-3-13-14(4-6)5-7-12-1-2-15(7)8(10)11/h1-4,8H,5H2
InChIKeyRHHOFBGCWGOXSJ-UHFFFAOYSA-N
MW296.69 g/mol
LogP1.45
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride (PubChem CID 82911189) has the molecular formula C8H7ClF2N4O2S and a molecular weight of 296.69 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride
PubChem CID82911189
Molecular FormulaC8H7ClF2N4O2S
Molecular Weight296.69 g/mol
Exact Mass295.99
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2nccn2C(F)F)c1
InChIInChI=1S/C8H7ClF2N4O2S/c9-18(16,17)6-3-13-14(4-6)5-7-12-1-2-15(7)8(10)11/h1-4,8H,5H2
InChIKeyRHHOFBGCWGOXSJ-UHFFFAOYSA-N
XLogP1.45
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride (CID 82911189) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(Cc2nccn2C(F)F)c1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride?
The InChIKey is RHHOFBGCWGOXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4O2S/c9-18(16,17)6-3-13-14(4-6)5-7-12-1-2-15(7)8(10)11/h1-4,8H,5H2.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride has a molecular weight of 296.69 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82911189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).