2-ethylindazole-7-sulfonyl chloride

C9H9ClN2O2S — CID 84728465

IUPAC2-ethylindazole-7-sulfonyl chloride
SMILESCCn1cc2cccc(S(=O)(=O)Cl)c2n1
InChIInChI=1S/C9H9ClN2O2S/c1-2-12-6-7-4-3-5-8(9(7)11-12)15(10,13)14/h3-6H,2H2,1H3
InChIKeyHROYPBPXHWDFQG-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.98
Rot. Bonds2

About 2-ethylindazole-7-sulfonyl chloride

2-ethylindazole-7-sulfonyl chloride (PubChem CID 84728465) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-ethylindazole-7-sulfonyl chloride.

Molecular Properties

Compound Name2-ethylindazole-7-sulfonyl chloride
PubChem CID84728465
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name2-ethylindazole-7-sulfonyl chloride
SMILESCCn1cc2cccc(S(=O)(=O)Cl)c2n1
InChIInChI=1S/C9H9ClN2O2S/c1-2-12-6-7-4-3-5-8(9(7)11-12)15(10,13)14/h3-6H,2H2,1H3
InChIKeyHROYPBPXHWDFQG-UHFFFAOYSA-N
XLogP1.98
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide
CID 71461353
4-(1-Methyl-1H-pyrazol-3-yl)-benzenesulfonyl chloride
CID 24229467
1-methyl-1H-indole-7-sulfonyl chloride
CID 24229740
1-Methyl-1H-indazole-5-sulfonyl chloride
CID 42614801
1-methyl-1H-indazole-6-sulfonyl chloride
CID 83671063
2-methyl-2H-indazole-3-sulfonyl chloride
CID 132351122
N-benzyl-1,3-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 19615262
2-propyl-2H-indazole
CID 11768860
2-Ethylindazole
CID 12295519
1-Methyl-3-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 137963845
8-Pyrazol-1-ylsulfonylquinoline
CID 4619559
2-Butylindazole
CID 17885725

Frequently Asked Questions

What is the IUPAC name of 2-ethylindazole-7-sulfonyl chloride?
The IUPAC name of 2-ethylindazole-7-sulfonyl chloride (CID 84728465) is 2-ethylindazole-7-sulfonyl chloride.
What is the SMILES notation for 2-ethylindazole-7-sulfonyl chloride?
The canonical SMILES for 2-ethylindazole-7-sulfonyl chloride is CCn1cc2cccc(S(=O)(=O)Cl)c2n1.
What is the InChIKey of 2-ethylindazole-7-sulfonyl chloride?
The InChIKey is HROYPBPXHWDFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c1-2-12-6-7-4-3-5-8(9(7)11-12)15(10,13)14/h3-6H,2H2,1H3.
What are the key properties of 2-ethylindazole-7-sulfonyl chloride?
2-ethylindazole-7-sulfonyl chloride has a molecular weight of 244.70 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylindazole-7-sulfonyl chloride is sourced from PubChem (CID 84728465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).