5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide

C21H19N3O4S — CID 2467694

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H19N3O4S/c1-28-20-9-8-17(13-18(20)21(25)23-16-6-4-11-22-14-16)29(26,27)24-12-10-15-5-2-3-7-19(15)24/h2-9,11,13-14H,10,12H2,1H3,(H,23,25)
InChIKeyJKQLMHNTJGZAOY-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.09
Rot. Bonds5

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide (PubChem CID 2467694) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
PubChem CID2467694
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C21H19N3O4S/c1-28-20-9-8-17(13-18(20)21(25)23-16-6-4-11-22-14-16)29(26,27)24-12-10-15-5-2-3-7-19(15)24/h2-9,11,13-14H,10,12H2,1H3,(H,23,25)
InChIKeyJKQLMHNTJGZAOY-UHFFFAOYSA-N
XLogP3.09
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide (CID 2467694) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide?
The InChIKey is JKQLMHNTJGZAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-28-20-9-8-17(13-18(20)21(25)23-16-6-4-11-22-14-16)29(26,27)24-12-10-15-5-2-3-7-19(15)24/h2-9,11,13-14H,10,12H2,1H3,(H,23,25).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide has a molecular weight of 409.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2467694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).