6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole

C15H13BrN2O3S — CID 170334782

IUPAC6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole
SMILESCOc1c(Br)ccc2cnn(S(=O)(=O)c3ccccc3C)c12
InChIInChI=1S/C15H13BrN2O3S/c1-10-5-3-4-6-13(10)22(19,20)18-14-11(9-17-18)7-8-12(16)15(14)21-2/h3-9H,1-2H3
InChIKeyCSOVMXUKARFVTD-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.35
Rot. Bonds3

About 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole

6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole (PubChem CID 170334782) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole.

Molecular Properties

Compound Name6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole
PubChem CID170334782
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole
SMILESCOc1c(Br)ccc2cnn(S(=O)(=O)c3ccccc3C)c12
InChIInChI=1S/C15H13BrN2O3S/c1-10-5-3-4-6-13(10)22(19,20)18-14-11(9-17-18)7-8-12(16)15(14)21-2/h3-9H,1-2H3
InChIKeyCSOVMXUKARFVTD-UHFFFAOYSA-N
XLogP3.35
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole?
The IUPAC name of 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole (CID 170334782) is 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole.
What is the SMILES notation for 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole?
The canonical SMILES for 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole is COc1c(Br)ccc2cnn(S(=O)(=O)c3ccccc3C)c12.
What is the InChIKey of 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole?
The InChIKey is CSOVMXUKARFVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c1-10-5-3-4-6-13(10)22(19,20)18-14-11(9-17-18)7-8-12(16)15(14)21-2/h3-9H,1-2H3.
What are the key properties of 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole?
6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole has a molecular weight of 381.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1-(2-methylphenyl)sulfonylindazole is sourced from PubChem (CID 170334782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).