1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole

C20H15BrN2O3S — CID 56931842

IUPAC1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole
SMILESCOc1ccc2cc(-c3cncc(Br)c3)n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C20H15BrN2O3S/c1-26-17-8-7-14-10-19(15-9-16(21)13-22-12-15)23(20(14)11-17)27(24,25)18-5-3-2-4-6-18/h2-13H,1H3
InChIKeyDLVBVKDXXJNDMK-UHFFFAOYSA-N
MW443.32 g/mol
LogP4.71
Rot. Bonds4

About 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole

1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole (PubChem CID 56931842) has the molecular formula C20H15BrN2O3S and a molecular weight of 443.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole
PubChem CID56931842
Molecular FormulaC20H15BrN2O3S
Molecular Weight443.32 g/mol
Exact Mass442.00
IUPAC Name1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole
SMILESCOc1ccc2cc(-c3cncc(Br)c3)n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C20H15BrN2O3S/c1-26-17-8-7-14-10-19(15-9-16(21)13-22-12-15)23(20(14)11-17)27(24,25)18-5-3-2-4-6-18/h2-13H,1H3
InChIKeyDLVBVKDXXJNDMK-UHFFFAOYSA-N
XLogP4.71
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 177130215
1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole
CID 102188056
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
[3-[1-(benzenesulfonyl)indol-2-yl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 56646386
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
1-(3-bromo-5-chlorophenyl)sulfonyl-2-phenylindole-6-carboxylic acid
CID 146604341
N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 51354314
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
CID 10916853
1-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 20873615
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol
CID 11247697

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole?
The IUPAC name of 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole (CID 56931842) is 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole is COc1ccc2cc(-c3cncc(Br)c3)n(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole?
The InChIKey is DLVBVKDXXJNDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O3S/c1-26-17-8-7-14-10-19(15-9-16(21)13-22-12-15)23(20(14)11-17)27(24,25)18-5-3-2-4-6-18/h2-13H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole?
1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole has a molecular weight of 443.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole is sourced from PubChem (CID 56931842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).