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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Related Compounds

6-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]hexan-3-amine
CID 69137588
N,N-dimethyl-4-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]butan-1-amine
CID 68679888
5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole
CID 58812086
3-naphthalen-1-ylsulfonyl-5-(4-pyrrolidin-1-ylbutoxy)-2H-indazole
CID 68679898
3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride
CID 68681311
3-[(5-methoxy-3-naphthalen-1-ylsulfonyl-2H-indazol-7-yl)oxy]propan-1-amine
CID 68680372
3-[(5-fluoro-3-naphthalen-1-ylsulfonyl-2H-indazol-7-yl)oxy]propan-1-amine;hydrochloride
CID 68679346
4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine
CID 90743906
2-[[3-(benzenesulfonyl)-2H-indazol-5-yl]oxy]ethanamine;2-[[3-(benzenesulfonyl)-2H-indazol-5-yl]oxy]ethyl 4-methylbenzenesulfonate
CID 161105900
methyl 3-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanoate
CID 68679834
3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
CID 143426591
cyclopropanamine;N-[3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propyl]cyclopropanamine;3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propyl 4-methylbenzenesulfonate;oxolane
CID 159790935

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).