1-methylindazole-5-sulfonyl chloride

C8H7ClN2O2S — CID 42614801

IUPAC1-methylindazole-5-sulfonyl chloride
SMILESCn1ncc2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C8H7ClN2O2S/c1-11-8-3-2-7(14(9,12)13)4-6(8)5-10-11/h2-5H,1H3
InChIKeyFDVGNMDRXLULKX-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.50
Rot. Bonds1

About 1-methylindazole-5-sulfonyl chloride

1-methylindazole-5-sulfonyl chloride (PubChem CID 42614801) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 1-methylindazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1-methylindazole-5-sulfonyl chloride
PubChem CID42614801
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name1-methylindazole-5-sulfonyl chloride
SMILESCn1ncc2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C8H7ClN2O2S/c1-11-8-3-2-7(14(9,12)13)4-6(8)5-10-11/h2-5H,1H3
InChIKeyFDVGNMDRXLULKX-UHFFFAOYSA-N
XLogP1.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylindazole-5-sulfonyl chloride?
The IUPAC name of 1-methylindazole-5-sulfonyl chloride (CID 42614801) is 1-methylindazole-5-sulfonyl chloride.
What is the SMILES notation for 1-methylindazole-5-sulfonyl chloride?
The canonical SMILES for 1-methylindazole-5-sulfonyl chloride is Cn1ncc2cc(S(=O)(=O)Cl)ccc21.
What is the InChIKey of 1-methylindazole-5-sulfonyl chloride?
The InChIKey is FDVGNMDRXLULKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c1-11-8-3-2-7(14(9,12)13)4-6(8)5-10-11/h2-5H,1H3.
What are the key properties of 1-methylindazole-5-sulfonyl chloride?
1-methylindazole-5-sulfonyl chloride has a molecular weight of 230.68 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindazole-5-sulfonyl chloride is sourced from PubChem (CID 42614801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).