4-fluoro-1-methylindazole-3-sulfonyl chloride

C8H6ClFN2O2S — CID 19083160

IUPAC4-fluoro-1-methylindazole-3-sulfonyl chloride
SMILESCn1nc(S(=O)(=O)Cl)c2c(F)cccc21
InChIInChI=1S/C8H6ClFN2O2S/c1-12-6-4-2-3-5(10)7(6)8(11-12)15(9,13)14/h2-4H,1H3
InChIKeyFMQMMFGNBZMYCM-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.64
Rot. Bonds1

About 4-fluoro-1-methylindazole-3-sulfonyl chloride

4-fluoro-1-methylindazole-3-sulfonyl chloride (PubChem CID 19083160) has the molecular formula C8H6ClFN2O2S and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-fluoro-1-methylindazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-1-methylindazole-3-sulfonyl chloride
PubChem CID19083160
Molecular FormulaC8H6ClFN2O2S
Molecular Weight248.67 g/mol
Exact Mass247.98
IUPAC Name4-fluoro-1-methylindazole-3-sulfonyl chloride
SMILESCn1nc(S(=O)(=O)Cl)c2c(F)cccc21
InChIInChI=1S/C8H6ClFN2O2S/c1-12-6-4-2-3-5(10)7(6)8(11-12)15(9,13)14/h2-4H,1H3
InChIKeyFMQMMFGNBZMYCM-UHFFFAOYSA-N
XLogP1.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylindazole-3-sulfonyl chloride?
The IUPAC name of 4-fluoro-1-methylindazole-3-sulfonyl chloride (CID 19083160) is 4-fluoro-1-methylindazole-3-sulfonyl chloride.
What is the SMILES notation for 4-fluoro-1-methylindazole-3-sulfonyl chloride?
The canonical SMILES for 4-fluoro-1-methylindazole-3-sulfonyl chloride is Cn1nc(S(=O)(=O)Cl)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-methylindazole-3-sulfonyl chloride?
The InChIKey is FMQMMFGNBZMYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2O2S/c1-12-6-4-2-3-5(10)7(6)8(11-12)15(9,13)14/h2-4H,1H3.
What are the key properties of 4-fluoro-1-methylindazole-3-sulfonyl chloride?
4-fluoro-1-methylindazole-3-sulfonyl chloride has a molecular weight of 248.67 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylindazole-3-sulfonyl chloride is sourced from PubChem (CID 19083160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).