4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide

C14H10BrN3O3S — CID 1380360

IUPAC4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
SMILESO=S(=O)(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O3S/c15-9-5-7-10(8-6-9)22(20,21)18-17-13-11-3-1-2-4-12(11)16-14(13)19/h1-8,16,19H/b18-17+
InChIKeyDRNGGQQKQXUHKP-ISLYRVAYSA-N
MW380.22 g/mol
LogP4.11
Rot. Bonds3

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

4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide (PubChem CID 1380360) has the molecular formula C14H10BrN3O3S and a molecular weight of 380.22 g/mol. Its IUPAC name is 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
PubChem CID1380360
Molecular FormulaC14H10BrN3O3S
Molecular Weight380.22 g/mol
Exact Mass378.96
IUPAC Name4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
SMILESO=S(=O)(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O3S/c15-9-5-7-10(8-6-9)22(20,21)18-17-13-11-3-1-2-4-12(11)16-14(13)19/h1-8,16,19H/b18-17+
InChIKeyDRNGGQQKQXUHKP-ISLYRVAYSA-N
XLogP4.11
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide (CID 1380360) is 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide is O=S(=O)(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide?
The InChIKey is DRNGGQQKQXUHKP-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H10BrN3O3S/c15-9-5-7-10(8-6-9)22(20,21)18-17-13-11-3-1-2-4-12(11)16-14(13)19/h1-8,16,19H/b18-17+.
What are the key properties of 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide?
4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide has a molecular weight of 380.22 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide is sourced from PubChem (CID 1380360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).