5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole

C19H15N5O3S — CID 58812086

IUPAC5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole
SMILES[N-]=[N+]=NCCOc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C19H15N5O3S/c20-24-21-10-11-27-14-8-9-17-16(12-14)19(23-22-17)28(25,26)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11H2,(H,22,23)
InChIKeyCZUNDQCNEOTPJO-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.24
Rot. Bonds6

About 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole

5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole (PubChem CID 58812086) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole.

Molecular Properties

Compound Name5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole
PubChem CID58812086
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole
SMILES[N-]=[N+]=NCCOc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C19H15N5O3S/c20-24-21-10-11-27-14-8-9-17-16(12-14)19(23-22-17)28(25,26)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11H2,(H,22,23)
InChIKeyCZUNDQCNEOTPJO-UHFFFAOYSA-N
XLogP4.24
TPSA120.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole?
The IUPAC name of 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole (CID 58812086) is 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole.
What is the SMILES notation for 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole?
The canonical SMILES for 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole is [N-]=[N+]=NCCOc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole?
The InChIKey is CZUNDQCNEOTPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c20-24-21-10-11-27-14-8-9-17-16(12-14)19(23-22-17)28(25,26)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11H2,(H,22,23).
What are the key properties of 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole?
5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole has a molecular weight of 393.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole is sourced from PubChem (CID 58812086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).