6-bromo-1-(4-methoxyphenyl)sulfonylindazole

C14H11BrN2O3S — CID 118433936

IUPAC6-bromo-1-(4-methoxyphenyl)sulfonylindazole
SMILESCOc1ccc(S(=O)(=O)n2ncc3ccc(Br)cc32)cc1
InChIInChI=1S/C14H11BrN2O3S/c1-20-12-4-6-13(7-5-12)21(18,19)17-14-8-11(15)3-2-10(14)9-16-17/h2-9H,1H3
InChIKeyFNDLVIGEVVXWEG-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.04
Rot. Bonds3

About 6-bromo-1-(4-methoxyphenyl)sulfonylindazole

6-bromo-1-(4-methoxyphenyl)sulfonylindazole (PubChem CID 118433936) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is 6-bromo-1-(4-methoxyphenyl)sulfonylindazole.

Molecular Properties

Compound Name6-bromo-1-(4-methoxyphenyl)sulfonylindazole
PubChem CID118433936
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC Name6-bromo-1-(4-methoxyphenyl)sulfonylindazole
SMILESCOc1ccc(S(=O)(=O)n2ncc3ccc(Br)cc32)cc1
InChIInChI=1S/C14H11BrN2O3S/c1-20-12-4-6-13(7-5-12)21(18,19)17-14-8-11(15)3-2-10(14)9-16-17/h2-9H,1H3
InChIKeyFNDLVIGEVVXWEG-UHFFFAOYSA-N
XLogP3.04
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-methoxyphenyl)sulfonylindazole?
The IUPAC name of 6-bromo-1-(4-methoxyphenyl)sulfonylindazole (CID 118433936) is 6-bromo-1-(4-methoxyphenyl)sulfonylindazole.
What is the SMILES notation for 6-bromo-1-(4-methoxyphenyl)sulfonylindazole?
The canonical SMILES for 6-bromo-1-(4-methoxyphenyl)sulfonylindazole is COc1ccc(S(=O)(=O)n2ncc3ccc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-1-(4-methoxyphenyl)sulfonylindazole?
The InChIKey is FNDLVIGEVVXWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c1-20-12-4-6-13(7-5-12)21(18,19)17-14-8-11(15)3-2-10(14)9-16-17/h2-9H,1H3.
What are the key properties of 6-bromo-1-(4-methoxyphenyl)sulfonylindazole?
6-bromo-1-(4-methoxyphenyl)sulfonylindazole has a molecular weight of 367.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-methoxyphenyl)sulfonylindazole is sourced from PubChem (CID 118433936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).