4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

C16H16N4O3S — CID 135434967

IUPAC4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCCc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C16H16N4O3S/c1-2-10-4-3-5-13-14(10)15(16(21)18-13)20-19-11-6-8-12(9-7-11)24(17,22)23/h3-9,18,21H,2H2,1H3,(H2,17,22,23)/b20-19+
InChIKeyNNRGQYRRIKHXND-FMQUCBEESA-N
MW344.40 g/mol
LogP3.50
Rot. Bonds4

About 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434967) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434967
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCCc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C16H16N4O3S/c1-2-10-4-3-5-13-14(10)15(16(21)18-13)20-19-11-6-8-12(9-7-11)24(17,22)23/h3-9,18,21H,2H2,1H3,(H2,17,22,23)/b20-19+
InChIKeyNNRGQYRRIKHXND-FMQUCBEESA-N
XLogP3.50
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434967) is 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is CCc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.
What is the InChIKey of 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is NNRGQYRRIKHXND-FMQUCBEESA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-2-10-4-3-5-13-14(10)15(16(21)18-13)20-19-11-6-8-12(9-7-11)24(17,22)23/h3-9,18,21H,2H2,1H3,(H2,17,22,23)/b20-19+.
What are the key properties of 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).