3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol

C19H19N5O5S — CID 137172473

IUPAC3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3ccccc23)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19N5O5S/c25-19-18(14-6-2-3-7-15(14)20-19)22-21-16-9-8-13(24(26)27)12-17(16)30(28,29)23-10-4-1-5-11-23/h2-3,6-9,12,20,25H,1,4-5,10-11H2/b22-21+
InChIKeyYUUBYUBWIDZCNA-QURGRASLSA-N
MW429.46 g/mol
LogP4.37
Rot. Bonds5

About 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol

3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol (PubChem CID 137172473) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol
PubChem CID137172473
Molecular FormulaC19H19N5O5S
Molecular Weight429.46 g/mol
Exact Mass429.11
IUPAC Name3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3ccccc23)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19N5O5S/c25-19-18(14-6-2-3-7-15(14)20-19)22-21-16-9-8-13(24(26)27)12-17(16)30(28,29)23-10-4-1-5-11-23/h2-3,6-9,12,20,25H,1,4-5,10-11H2/b22-21+
InChIKeyYUUBYUBWIDZCNA-QURGRASLSA-N
XLogP4.37
TPSA141.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol (CID 137172473) is 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol is O=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3ccccc23)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is YUUBYUBWIDZCNA-QURGRASLSA-N. The full InChI is InChI=1S/C19H19N5O5S/c25-19-18(14-6-2-3-7-15(14)20-19)22-21-16-9-8-13(24(26)27)12-17(16)30(28,29)23-10-4-1-5-11-23/h2-3,6-9,12,20,25H,1,4-5,10-11H2/b22-21+.
What are the key properties of 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol?
3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 429.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 137172473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).