2-(1-methylindazol-7-yl)ethanesulfonyl chloride

C10H11ClN2O2S — CID 84709598

IUPAC2-(1-methylindazol-7-yl)ethanesulfonyl chloride
SMILESCn1ncc2cccc(CCS(=O)(=O)Cl)c21
InChIInChI=1S/C10H11ClN2O2S/c1-13-10-8(5-6-16(11,14)15)3-2-4-9(10)7-12-13/h2-4,7H,5-6H2,1H3
InChIKeyKVWJSACEMIJMIX-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.68
Rot. Bonds3

About 2-(1-methylindazol-7-yl)ethanesulfonyl chloride

2-(1-methylindazol-7-yl)ethanesulfonyl chloride (PubChem CID 84709598) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-(1-methylindazol-7-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(1-methylindazol-7-yl)ethanesulfonyl chloride
PubChem CID84709598
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-(1-methylindazol-7-yl)ethanesulfonyl chloride
SMILESCn1ncc2cccc(CCS(=O)(=O)Cl)c21
InChIInChI=1S/C10H11ClN2O2S/c1-13-10-8(5-6-16(11,14)15)3-2-4-9(10)7-12-13/h2-4,7H,5-6H2,1H3
InChIKeyKVWJSACEMIJMIX-UHFFFAOYSA-N
XLogP1.68
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylindazol-6-yl)butane-1-sulfonamide
CID 70689295
1-Methyl-1H-indazole
CID 139456
[(1,3-Dimethylpyrazol-4-yl)sulfonyl][6-methyl-2-(methylethyl)phenyl]amine
CID 6468977
2-Methyl-2H-indazole
CID 138364
1-Methyl-1H-indazole-5-boronic acid
CID 22558910
1-(Methylsulfonylmethyl)-3-phenylindazole
CID 118569068
5-(Aminomethyl)-1-methyl-1H-indazole
CID 23000156
1-Methyl-1H-indazole-5-sulfonyl chloride
CID 42614801
1-Methyl-1H-indazole-4-boronic acid
CID 44118212
1-Methyl-1H-indazole-6-boronic acid
CID 44118215
(1-Methyl-1H-indazol-7-yl)boronic acid
CID 44118216
(1-Methyl-1H-indazol-4-yl)boronic acid--hydrogen chloride (1/1)
CID 46738036

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-7-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(1-methylindazol-7-yl)ethanesulfonyl chloride (CID 84709598) is 2-(1-methylindazol-7-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(1-methylindazol-7-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(1-methylindazol-7-yl)ethanesulfonyl chloride is Cn1ncc2cccc(CCS(=O)(=O)Cl)c21.
What is the InChIKey of 2-(1-methylindazol-7-yl)ethanesulfonyl chloride?
The InChIKey is KVWJSACEMIJMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-13-10-8(5-6-16(11,14)15)3-2-4-9(10)7-12-13/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(1-methylindazol-7-yl)ethanesulfonyl chloride?
2-(1-methylindazol-7-yl)ethanesulfonyl chloride has a molecular weight of 258.73 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-7-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84709598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).