indazole-1-sulfonyl chloride

C7H5ClN2O2S — CID 87951720

IUPACindazole-1-sulfonyl chloride
SMILESO=S(=O)(Cl)n1ncc2ccccc21
InChIInChI=1S/C7H5ClN2O2S/c8-13(11,12)10-7-4-2-1-3-6(7)5-9-10/h1-5H
InChIKeyDCFHXCILERVINP-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.37
Rot. Bonds1

About indazole-1-sulfonyl chloride

indazole-1-sulfonyl chloride (PubChem CID 87951720) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is indazole-1-sulfonyl chloride.

Molecular Properties

Compound Nameindazole-1-sulfonyl chloride
PubChem CID87951720
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Nameindazole-1-sulfonyl chloride
SMILESO=S(=O)(Cl)n1ncc2ccccc21
InChIInChI=1S/C7H5ClN2O2S/c8-13(11,12)10-7-4-2-1-3-6(7)5-9-10/h1-5H
InChIKeyDCFHXCILERVINP-UHFFFAOYSA-N
XLogP1.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of indazole-1-sulfonyl chloride?
The IUPAC name of indazole-1-sulfonyl chloride (CID 87951720) is indazole-1-sulfonyl chloride.
What is the SMILES notation for indazole-1-sulfonyl chloride?
The canonical SMILES for indazole-1-sulfonyl chloride is O=S(=O)(Cl)n1ncc2ccccc21.
What is the InChIKey of indazole-1-sulfonyl chloride?
The InChIKey is DCFHXCILERVINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-13(11,12)10-7-4-2-1-3-6(7)5-9-10/h1-5H.
What are the key properties of indazole-1-sulfonyl chloride?
indazole-1-sulfonyl chloride has a molecular weight of 216.65 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indazole-1-sulfonyl chloride is sourced from PubChem (CID 87951720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).