2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid

C20H16N2O4S — CID 59473753

IUPAC2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cccc(NS(=O)(=O)c3cccc4ccccc34)c21
InChIInChI=1S/C20H16N2O4S/c23-19(24)13-22-12-11-15-7-3-9-17(20(15)22)21-27(25,26)18-10-4-6-14-5-1-2-8-16(14)18/h1-12,21H,13H2,(H,23,24)
InChIKeyXRIFBBSPJADOHG-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.68
Rot. Bonds5

About 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid

2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid (PubChem CID 59473753) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid
PubChem CID59473753
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2cccc(NS(=O)(=O)c3cccc4ccccc34)c21
InChIInChI=1S/C20H16N2O4S/c23-19(24)13-22-12-11-15-7-3-9-17(20(15)22)21-27(25,26)18-10-4-6-14-5-1-2-8-16(14)18/h1-12,21H,13H2,(H,23,24)
InChIKeyXRIFBBSPJADOHG-UHFFFAOYSA-N
XLogP3.68
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid?
The IUPAC name of 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid (CID 59473753) is 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid?
The canonical SMILES for 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid is O=C(O)Cn1ccc2cccc(NS(=O)(=O)c3cccc4ccccc34)c21.
What is the InChIKey of 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid?
The InChIKey is XRIFBBSPJADOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-19(24)13-22-12-11-15-7-3-9-17(20(15)22)21-27(25,26)18-10-4-6-14-5-1-2-8-16(14)18/h1-12,21H,13H2,(H,23,24).
What are the key properties of 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid?
2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid has a molecular weight of 380.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid is sourced from PubChem (CID 59473753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).