4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

C14H12N4O4S — CID 135405216

IUPAC4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C14H12N4O4S/c15-23(21,22)10-4-1-8(2-5-10)17-18-13-11-7-9(19)3-6-12(11)16-14(13)20/h1-7,16,19-20H,(H2,15,21,22)/b18-17+
InChIKeyXWRIZUXQGQPRHA-ISLYRVAYSA-N
MW332.34 g/mol
LogP2.64
Rot. Bonds3

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

4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135405216) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135405216
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C14H12N4O4S/c15-23(21,22)10-4-1-8(2-5-10)17-18-13-11-7-9(19)3-6-12(11)16-14(13)20/h1-7,16,19-20H,(H2,15,21,22)/b18-17+
InChIKeyXWRIZUXQGQPRHA-ISLYRVAYSA-N
XLogP2.64
TPSA141.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.64
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 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135405216) is 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(O)cc23)cc1.
What is the InChIKey of 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is XWRIZUXQGQPRHA-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c15-23(21,22)10-4-1-8(2-5-10)17-18-13-11-7-9(19)3-6-12(11)16-14(13)20/h1-7,16,19-20H,(H2,15,21,22)/b18-17+.
What are the key properties of 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 332.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dihydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135405216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).