4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

C14H13N5O3S — CID 135434982

IUPAC4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNc1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C14H13N5O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,17,20H,15H2,(H2,16,21,22)/b19-18+
InChIKeyNZYLQCXLZVYEQE-VHEBQXMUSA-N
MW331.36 g/mol
LogP2.52
Rot. Bonds3

About 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434982) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434982
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNc1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C14H13N5O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,17,20H,15H2,(H2,16,21,22)/b19-18+
InChIKeyNZYLQCXLZVYEQE-VHEBQXMUSA-N
XLogP2.52
TPSA146.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434992
CID 135981069
CID 135981069
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
2-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
CID 135434987
CID 173165002
CID 173165002
4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen
CID 158281519
4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
CID 135409809
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
CID 175543778
5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
CID 136867526
3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 136867473
4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide
CID 135418489
3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867759

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434982) is 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is Nc1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is NZYLQCXLZVYEQE-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H13N5O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,17,20H,15H2,(H2,16,21,22)/b19-18+.
What are the key properties of 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).