2-(4-chlorophenyl)-6-methylsulfonylindazole

C14H11ClN2O2S — CID 56676931

IUPAC2-(4-chlorophenyl)-6-methylsulfonylindazole
SMILESCS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H11ClN2O2S/c1-20(18,19)13-7-2-10-9-17(16-14(10)8-13)12-5-3-11(15)4-6-12/h2-9H,1H3
InChIKeyZITMIMSHKXEBOQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.08
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methylsulfonylindazole

2-(4-chlorophenyl)-6-methylsulfonylindazole (PubChem CID 56676931) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methylsulfonylindazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methylsulfonylindazole
PubChem CID56676931
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name2-(4-chlorophenyl)-6-methylsulfonylindazole
SMILESCS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H11ClN2O2S/c1-20(18,19)13-7-2-10-9-17(16-14(10)8-13)12-5-3-11(15)4-6-12/h2-9H,1H3
InChIKeyZITMIMSHKXEBOQ-UHFFFAOYSA-N
XLogP3.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methylsulfonylindazole?
The IUPAC name of 2-(4-chlorophenyl)-6-methylsulfonylindazole (CID 56676931) is 2-(4-chlorophenyl)-6-methylsulfonylindazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methylsulfonylindazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-methylsulfonylindazole is CS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methylsulfonylindazole?
The InChIKey is ZITMIMSHKXEBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-20(18,19)13-7-2-10-9-17(16-14(10)8-13)12-5-3-11(15)4-6-12/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methylsulfonylindazole?
2-(4-chlorophenyl)-6-methylsulfonylindazole has a molecular weight of 306.77 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methylsulfonylindazole is sourced from PubChem (CID 56676931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).