2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide

C17H17N5O4S — CID 135404113

IUPAC2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C17H17N5O4S/c1-22(2)17(24)10-3-8-14-13(9-10)15(16(23)19-14)21-20-11-4-6-12(7-5-11)27(18,25)26/h3-9,19,23H,1-2H3,(H2,18,25,26)/b21-20+
InChIKeyUTHVZZKYYYMFGE-QZQOTICOSA-N
MW387.42 g/mol
LogP2.64
Rot. Bonds4

About 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide

2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide (PubChem CID 135404113) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
PubChem CID135404113
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C17H17N5O4S/c1-22(2)17(24)10-3-8-14-13(9-10)15(16(23)19-14)21-20-11-4-6-12(7-5-11)27(18,25)26/h3-9,19,23H,1-2H3,(H2,18,25,26)/b21-20+
InChIKeyUTHVZZKYYYMFGE-QZQOTICOSA-N
XLogP2.64
TPSA141.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
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-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide (CID 135404113) is 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide is CN(C)C(=O)c1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
The InChIKey is UTHVZZKYYYMFGE-QZQOTICOSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-22(2)17(24)10-3-8-14-13(9-10)15(16(23)19-14)21-20-11-4-6-12(7-5-11)27(18,25)26/h3-9,19,23H,1-2H3,(H2,18,25,26)/b21-20+.
What are the key properties of 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide?
2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 135404113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).