4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

C14H11BrN4O3S — CID 135434992

IUPAC4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cc(Br)ccc23)cc1
InChIInChI=1S/C14H11BrN4O3S/c15-8-1-6-11-12(7-8)17-14(20)13(11)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,17,20H,(H2,16,21,22)/b19-18+
InChIKeyFITNLFQULPJFRL-VHEBQXMUSA-N
MW395.24 g/mol
LogP3.70
Rot. Bonds3

About 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434992) has the molecular formula C14H11BrN4O3S and a molecular weight of 395.24 g/mol. Its IUPAC name is 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434992
Molecular FormulaC14H11BrN4O3S
Molecular Weight395.24 g/mol
Exact Mass393.97
IUPAC Name4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cc(Br)ccc23)cc1
InChIInChI=1S/C14H11BrN4O3S/c15-8-1-6-11-12(7-8)17-14(20)13(11)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,17,20H,(H2,16,21,22)/b19-18+
InChIKeyFITNLFQULPJFRL-VHEBQXMUSA-N
XLogP3.70
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.70
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-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434992) is 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cc(Br)ccc23)cc1.
What is the InChIKey of 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is FITNLFQULPJFRL-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11BrN4O3S/c15-8-1-6-11-12(7-8)17-14(20)13(11)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,17,20H,(H2,16,21,22)/b19-18+.
What are the key properties of 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 395.24 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).