1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole

C20H18N2O3S — CID 118714825

IUPAC1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole
SMILESCOc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)ccc32)c1
InChIInChI=1S/C20H18N2O3S/c1-25-18-5-2-6-19(13-18)26(23,24)22-11-9-16-12-15(7-8-20(16)22)17-4-3-10-21-14-17/h2-8,10,12-14H,9,11H2,1H3
InChIKeyREKAHBWZEGGCQO-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole

1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole (PubChem CID 118714825) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole
PubChem CID118714825
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole
SMILESCOc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)ccc32)c1
InChIInChI=1S/C20H18N2O3S/c1-25-18-5-2-6-19(13-18)26(23,24)22-11-9-16-12-15(7-8-20(16)22)17-4-3-10-21-14-17/h2-8,10,12-14H,9,11H2,1H3
InChIKeyREKAHBWZEGGCQO-UHFFFAOYSA-N
XLogP3.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole (CID 118714825) is 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole is COc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)ccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole?
The InChIKey is REKAHBWZEGGCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-18-5-2-6-19(13-18)26(23,24)22-11-9-16-12-15(7-8-20(16)22)17-4-3-10-21-14-17/h2-8,10,12-14H,9,11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole?
1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole has a molecular weight of 366.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydroindole is sourced from PubChem (CID 118714825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).