2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide

C15H13N5O4S — CID 135423008

IUPAC2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C15H13N5O4S/c16-14(21)10-2-1-3-11-12(10)13(15(22)18-11)20-19-8-4-6-9(7-5-8)25(17,23)24/h1-7,18,22H,(H2,16,21)(H2,17,23,24)/b20-19+
InChIKeyZKIWIJCFECEQBI-FMQUCBEESA-N
MW359.37 g/mol
LogP2.04
Rot. Bonds4

About 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide

2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide (PubChem CID 135423008) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide
PubChem CID135423008
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Name2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C15H13N5O4S/c16-14(21)10-2-1-3-11-12(10)13(15(22)18-11)20-19-8-4-6-9(7-5-8)25(17,23)24/h1-7,18,22H,(H2,16,21)(H2,17,23,24)/b20-19+
InChIKeyZKIWIJCFECEQBI-FMQUCBEESA-N
XLogP2.04
TPSA163.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide?
The IUPAC name of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide (CID 135423008) is 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide?
The canonical SMILES for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide is NC(=O)c1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.
What is the InChIKey of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide?
The InChIKey is ZKIWIJCFECEQBI-FMQUCBEESA-N. The full InChI is InChI=1S/C15H13N5O4S/c16-14(21)10-2-1-3-11-12(10)13(15(22)18-11)20-19-8-4-6-9(7-5-8)25(17,23)24/h1-7,18,22H,(H2,16,21)(H2,17,23,24)/b20-19+.
What are the key properties of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide?
2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 135423008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).