1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride

C5H5F3N2O2S — CID 165460480

IUPAC1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
SMILESCc1c(S(=O)(=O)F)cnn1C(F)F
InChIInChI=1S/C5H5F3N2O2S/c1-3-4(13(8,11)12)2-9-10(3)5(6)7/h2,5H,1H3
InChIKeyVMBADULUAPGTCJ-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.24
Rot. Bonds2

About 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride

1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride (PubChem CID 165460480) has the molecular formula C5H5F3N2O2S and a molecular weight of 214.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
PubChem CID165460480
Molecular FormulaC5H5F3N2O2S
Molecular Weight214.17 g/mol
Exact Mass214.00
IUPAC Name1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
SMILESCc1c(S(=O)(=O)F)cnn1C(F)F
InChIInChI=1S/C5H5F3N2O2S/c1-3-4(13(8,11)12)2-9-10(3)5(6)7/h2,5H,1H3
InChIKeyVMBADULUAPGTCJ-UHFFFAOYSA-N
XLogP1.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
CID 177135675
N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
CID 19621228
1-(difluoromethyl)-5-methyl-4-nitropyrazole
CID 50896628
1-(difluoromethyl)-5-methylpyrazol-4-amine;hydrochloride
CID 90482906
1-(difluoromethyl)-N-[(4-methoxyphenyl)-phenylmethyl]-5-methylpyrazole-4-sulfonamide
CID 46972192
1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide
CID 51593919
1-(difluoromethyl)-4-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51855636
1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
CID 19614442
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
CID 46268338
1-[(2-chloro-6-fluorophenyl)methyl]-4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazine
CID 19614577
1-(difluoromethyl)-5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 19614603
3-[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-1,2-benzothiazole
CID 46970754

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride?
The IUPAC name of 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride (CID 165460480) is 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride.
What is the SMILES notation for 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride?
The canonical SMILES for 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride is Cc1c(S(=O)(=O)F)cnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride?
The InChIKey is VMBADULUAPGTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2S/c1-3-4(13(8,11)12)2-9-10(3)5(6)7/h2,5H,1H3.
What are the key properties of 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride?
1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride has a molecular weight of 214.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride is sourced from PubChem (CID 165460480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).