2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine

C19H17N3O3S — CID 58812067

IUPAC2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
SMILESNCCOc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1
InChIInChI=1S/C19H17N3O3S/c20-10-11-25-14-8-9-16-17(12-14)21-22-19(16)26(23,24)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11,20H2,(H,21,22)
InChIKeyOIWRJIJOAUHKGP-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.89
Rot. Bonds5

About 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine

2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine (PubChem CID 58812067) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
PubChem CID58812067
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
SMILESNCCOc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1
InChIInChI=1S/C19H17N3O3S/c20-10-11-25-14-8-9-16-17(12-14)21-22-19(16)26(23,24)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11,20H2,(H,21,22)
InChIKeyOIWRJIJOAUHKGP-UHFFFAOYSA-N
XLogP2.89
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine?
The IUPAC name of 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine (CID 58812067) is 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine?
The canonical SMILES for 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine is NCCOc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1.
What is the InChIKey of 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine?
The InChIKey is OIWRJIJOAUHKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c20-10-11-25-14-8-9-16-17(12-14)21-22-19(16)26(23,24)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11,20H2,(H,21,22).
What are the key properties of 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine?
2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine has a molecular weight of 367.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine is sourced from PubChem (CID 58812067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).