1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole

C23H20N2O3S — CID 102188056

IUPAC1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole
SMILESCOc1ccc2c(c1)cc(-c1cc3c(cn1)CCC3)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20N2O3S/c1-28-19-10-11-22-18(12-19)14-23(21-13-16-6-5-7-17(16)15-24-21)25(22)29(26,27)20-8-3-2-4-9-20/h2-4,8-15H,5-7H2,1H3
InChIKeyKONBWMGXIYQGTK-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.44
Rot. Bonds4

About 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole

1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole (PubChem CID 102188056) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole
PubChem CID102188056
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole
SMILESCOc1ccc2c(c1)cc(-c1cc3c(cn1)CCC3)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20N2O3S/c1-28-19-10-11-22-18(12-19)14-23(21-13-16-6-5-7-17(16)15-24-21)25(22)29(26,27)20-8-3-2-4-9-20/h2-4,8-15H,5-7H2,1H3
InChIKeyKONBWMGXIYQGTK-UHFFFAOYSA-N
XLogP4.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-2-(5-bromo-3-pyridinyl)-6-methoxyindole
CID 56931842
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
CID 10916853
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol
CID 11247697
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
CID 11730089
methyl 2-[1-(benzenesulfonyl)indol-2-yl]pyridine-4-carboxylate
CID 10715529
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
CID 121485521
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol
CID 11081611
[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
CID 10929155
9-(benzenesulfonyl)-3-chloro-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]indole;ethane
CID 143951058
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
CID 11134025

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole?
The IUPAC name of 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole (CID 102188056) is 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole is COc1ccc2c(c1)cc(-c1cc3c(cn1)CCC3)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole?
The InChIKey is KONBWMGXIYQGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-28-19-10-11-22-18(12-19)14-23(21-13-16-6-5-7-17(16)15-24-21)25(22)29(26,27)20-8-3-2-4-9-20/h2-4,8-15H,5-7H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole?
1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole has a molecular weight of 404.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole is sourced from PubChem (CID 102188056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).