4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide

C20H15BrN2O2S — CID 22285770

IUPAC4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H15BrN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25)
InChIKeyBKVFZJIRCUBYGE-UHFFFAOYSA-N
MW427.32 g/mol
LogP4.91
Rot. Bonds3

About 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide

4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide (PubChem CID 22285770) has the molecular formula C20H15BrN2O2S and a molecular weight of 427.32 g/mol. Its IUPAC name is 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide
PubChem CID22285770
Molecular FormulaC20H15BrN2O2S
Molecular Weight427.32 g/mol
Exact Mass426.00
IUPAC Name4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H15BrN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25)
InChIKeyBKVFZJIRCUBYGE-UHFFFAOYSA-N
XLogP4.91
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(5-bromo-3-phenyl-1H-indol-2-yl)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-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide (CID 22285770) is 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1.
What is the InChIKey of 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
The InChIKey is BKVFZJIRCUBYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25).
What are the key properties of 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide?
4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide has a molecular weight of 427.32 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide is sourced from PubChem (CID 22285770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).