2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide

C24H17N3O4S — CID 67145013

IUPAC2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc2cnccc12)c1ccccc1Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C24H17N3O4S/c28-24(27-32(29,30)23-7-3-4-17-15-25-12-11-19(17)23)20-5-1-2-6-22(20)31-18-8-9-21-16(14-18)10-13-26-21/h1-15,26H,(H,27,28)
InChIKeyAKUYKLXQCQDHQF-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.63
Rot. Bonds5

About 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide

2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide (PubChem CID 67145013) has the molecular formula C24H17N3O4S and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide
PubChem CID67145013
Molecular FormulaC24H17N3O4S
Molecular Weight443.48 g/mol
Exact Mass443.09
IUPAC Name2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc2cnccc12)c1ccccc1Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C24H17N3O4S/c28-24(27-32(29,30)23-7-3-4-17-15-25-12-11-19(17)23)20-5-1-2-6-22(20)31-18-8-9-21-16(14-18)10-13-26-21/h1-15,26H,(H,27,28)
InChIKeyAKUYKLXQCQDHQF-UHFFFAOYSA-N
XLogP4.63
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide?
The IUPAC name of 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide (CID 67145013) is 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide.
What is the SMILES notation for 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide?
The canonical SMILES for 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide is O=C(NS(=O)(=O)c1cccc2cnccc12)c1ccccc1Oc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide?
The InChIKey is AKUYKLXQCQDHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4S/c28-24(27-32(29,30)23-7-3-4-17-15-25-12-11-19(17)23)20-5-1-2-6-22(20)31-18-8-9-21-16(14-18)10-13-26-21/h1-15,26H,(H,27,28).
What are the key properties of 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide?
2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide has a molecular weight of 443.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yloxy)-N-isoquinolin-5-ylsulfonylbenzamide is sourced from PubChem (CID 67145013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).