1-ethyl-3-methylindazole-6-sulfonyl chloride

C10H11ClN2O2S — CID 84729495

IUPAC1-ethyl-3-methylindazole-6-sulfonyl chloride
SMILESCCn1nc(C)c2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H11ClN2O2S/c1-3-13-10-6-8(16(11,14)15)4-5-9(10)7(2)12-13/h4-6H,3H2,1-2H3
InChIKeyXKIQGRXDUIWVHR-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.29
Rot. Bonds2

About 1-ethyl-3-methylindazole-6-sulfonyl chloride

1-ethyl-3-methylindazole-6-sulfonyl chloride (PubChem CID 84729495) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 1-ethyl-3-methylindazole-6-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-3-methylindazole-6-sulfonyl chloride
PubChem CID84729495
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name1-ethyl-3-methylindazole-6-sulfonyl chloride
SMILESCCn1nc(C)c2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C10H11ClN2O2S/c1-3-13-10-6-8(16(11,14)15)4-5-9(10)7(2)12-13/h4-6H,3H2,1-2H3
InChIKeyXKIQGRXDUIWVHR-UHFFFAOYSA-N
XLogP2.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylindazole-6-sulfonyl chloride?
The IUPAC name of 1-ethyl-3-methylindazole-6-sulfonyl chloride (CID 84729495) is 1-ethyl-3-methylindazole-6-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-3-methylindazole-6-sulfonyl chloride?
The canonical SMILES for 1-ethyl-3-methylindazole-6-sulfonyl chloride is CCn1nc(C)c2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 1-ethyl-3-methylindazole-6-sulfonyl chloride?
The InChIKey is XKIQGRXDUIWVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-3-13-10-6-8(16(11,14)15)4-5-9(10)7(2)12-13/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylindazole-6-sulfonyl chloride?
1-ethyl-3-methylindazole-6-sulfonyl chloride has a molecular weight of 258.73 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylindazole-6-sulfonyl chloride is sourced from PubChem (CID 84729495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).