2-(4-chlorophenyl)-6-ethylsulfonylindazole

C15H13ClN2O2S — CID 42602478

IUPAC2-(4-chlorophenyl)-6-ethylsulfonylindazole
SMILESCCS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H13ClN2O2S/c1-2-21(19,20)14-8-3-11-10-18(17-15(11)9-14)13-6-4-12(16)5-7-13/h3-10H,2H2,1H3
InChIKeyKQDWQESVGRYBGD-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.47
Rot. Bonds3

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

2-(4-chlorophenyl)-6-ethylsulfonylindazole (PubChem CID 42602478) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-ethylsulfonylindazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-ethylsulfonylindazole
PubChem CID42602478
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-(4-chlorophenyl)-6-ethylsulfonylindazole
SMILESCCS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H13ClN2O2S/c1-2-21(19,20)14-8-3-11-10-18(17-15(11)9-14)13-6-4-12(16)5-7-13/h3-10H,2H2,1H3
InChIKeyKQDWQESVGRYBGD-UHFFFAOYSA-N
XLogP3.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenyl)sulfanyl-1-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 44595244
2-(4-Chlorophenyl)-6-propan-2-ylsulfonylindazole
CID 25182597
2-(4-Chlorophenyl)-6-(methylsulfonyl)-2H-indazole
CID 56676931
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole
CID 15278606
1-(4-Fluorophenyl)-6-methylsulfonylindazole
CID 66967803
2-(4-Ethylsulfonylphenyl)-6-(trifluoromethyl)indazole
CID 174749087
4-chloro-3-methylsulfonyl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]aniline
CID 146136870
2-(3-Chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 9864791
1,4-Bis(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 19041252
3-(4-Chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 19921881
2-(4-Chlorophenyl)-3-(4-methylsulfonylphenyl)-4,5,6,7-tetrahydroindazole
CID 54328408
2-(4-chlorophenyl)-4H-thiochromeno[4,3-c]pyrazole 5,5-dioxide
CID 57198642

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-ethylsulfonylindazole?
The IUPAC name of 2-(4-chlorophenyl)-6-ethylsulfonylindazole (CID 42602478) is 2-(4-chlorophenyl)-6-ethylsulfonylindazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-ethylsulfonylindazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-ethylsulfonylindazole is CCS(=O)(=O)c1ccc2cn(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-ethylsulfonylindazole?
The InChIKey is KQDWQESVGRYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-2-21(19,20)14-8-3-11-10-18(17-15(11)9-14)13-6-4-12(16)5-7-13/h3-10H,2H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-ethylsulfonylindazole?
2-(4-chlorophenyl)-6-ethylsulfonylindazole has a molecular weight of 320.80 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-ethylsulfonylindazole is sourced from PubChem (CID 42602478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).