6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole

C14H11ClN2O2S — CID 121320433

IUPAC6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-20(18,19)11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-16-17-14/h2-8H,1H3,(H,16,17)
InChIKeyALEYZWUJWRZISV-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.29
Rot. Bonds2

About 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole

6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole (PubChem CID 121320433) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole
PubChem CID121320433
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-20(18,19)11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-16-17-14/h2-8H,1H3,(H,16,17)
InChIKeyALEYZWUJWRZISV-UHFFFAOYSA-N
XLogP3.29
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole?
The IUPAC name of 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole (CID 121320433) is 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole.
What is the SMILES notation for 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole?
The canonical SMILES for 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole is CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.
What is the InChIKey of 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole?
The InChIKey is ALEYZWUJWRZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-20(18,19)11-4-2-9(3-5-11)12-6-10(15)7-14-13(12)8-16-17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole?
6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole has a molecular weight of 306.77 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole is sourced from PubChem (CID 121320433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).