1H-indazole-5-sulfonyl chloride

C7H5ClN2O2S — CID 22567144

IUPAC1H-indazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H5ClN2O2S/c8-13(11,12)6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKeyOHNCNPVNTFTJLX-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.49
Rot. Bonds1

About 1H-indazole-5-sulfonyl chloride

1H-indazole-5-sulfonyl chloride (PubChem CID 22567144) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 1H-indazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1H-indazole-5-sulfonyl chloride
PubChem CID22567144
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name1H-indazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H5ClN2O2S/c8-13(11,12)6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKeyOHNCNPVNTFTJLX-UHFFFAOYSA-N
XLogP1.49
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole-5-sulfonyl chloride?
The IUPAC name of 1H-indazole-5-sulfonyl chloride (CID 22567144) is 1H-indazole-5-sulfonyl chloride.
What is the SMILES notation for 1H-indazole-5-sulfonyl chloride?
The canonical SMILES for 1H-indazole-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole-5-sulfonyl chloride?
The InChIKey is OHNCNPVNTFTJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-13(11,12)6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10).
What are the key properties of 1H-indazole-5-sulfonyl chloride?
1H-indazole-5-sulfonyl chloride has a molecular weight of 216.65 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-5-sulfonyl chloride is sourced from PubChem (CID 22567144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).