1-methylindazole-6-sulfonyl fluoride

C8H7FN2O2S — CID 156875828

IUPAC1-methylindazole-6-sulfonyl fluoride
SMILESCn1ncc2ccc(S(=O)(=O)F)cc21
InChIInChI=1S/C8H7FN2O2S/c1-11-8-4-7(14(9,12)13)3-2-6(8)5-10-11/h2-5H,1H3
InChIKeyDRTZMQNRPPTPEM-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.23
Rot. Bonds1

About 1-methylindazole-6-sulfonyl fluoride

1-methylindazole-6-sulfonyl fluoride (PubChem CID 156875828) has the molecular formula C8H7FN2O2S and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-methylindazole-6-sulfonyl fluoride.

Molecular Properties

Compound Name1-methylindazole-6-sulfonyl fluoride
PubChem CID156875828
Molecular FormulaC8H7FN2O2S
Molecular Weight214.22 g/mol
Exact Mass214.02
IUPAC Name1-methylindazole-6-sulfonyl fluoride
SMILESCn1ncc2ccc(S(=O)(=O)F)cc21
InChIInChI=1S/C8H7FN2O2S/c1-11-8-4-7(14(9,12)13)3-2-6(8)5-10-11/h2-5H,1H3
InChIKeyDRTZMQNRPPTPEM-UHFFFAOYSA-N
XLogP1.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylindazole-6-sulfonyl fluoride?
The IUPAC name of 1-methylindazole-6-sulfonyl fluoride (CID 156875828) is 1-methylindazole-6-sulfonyl fluoride.
What is the SMILES notation for 1-methylindazole-6-sulfonyl fluoride?
The canonical SMILES for 1-methylindazole-6-sulfonyl fluoride is Cn1ncc2ccc(S(=O)(=O)F)cc21.
What is the InChIKey of 1-methylindazole-6-sulfonyl fluoride?
The InChIKey is DRTZMQNRPPTPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2S/c1-11-8-4-7(14(9,12)13)3-2-6(8)5-10-11/h2-5H,1H3.
What are the key properties of 1-methylindazole-6-sulfonyl fluoride?
1-methylindazole-6-sulfonyl fluoride has a molecular weight of 214.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindazole-6-sulfonyl fluoride is sourced from PubChem (CID 156875828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).