1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole

C20H18N2O3S — CID 66757545

IUPAC1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccnc4)c32)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-17-7-9-18(10-8-17)26(23,24)22-13-11-15-4-2-6-19(20(15)22)16-5-3-12-21-14-16/h2-10,12,14H,11,13H2,1H3
InChIKeyLLAVBJNEMOCJOT-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole

1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole (PubChem CID 66757545) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole
PubChem CID66757545
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccnc4)c32)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-17-7-9-18(10-8-17)26(23,24)22-13-11-15-4-2-6-19(20(15)22)16-5-3-12-21-14-16/h2-10,12,14H,11,13H2,1H3
InChIKeyLLAVBJNEMOCJOT-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-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole (CID 66757545) is 1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccnc4)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole?
The InChIKey is LLAVBJNEMOCJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-17-7-9-18(10-8-17)26(23,24)22-13-11-15-4-2-6-19(20(15)22)16-5-3-12-21-14-16/h2-10,12,14H,11,13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole?
1-(4-methoxyphenyl)sulfonyl-7-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-(4-methoxyphenyl)sulfonyl-7-pyridin-3-yl-2,3-dihydroindole is sourced from PubChem (CID 66757545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).