5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide

C14H19BrN4O5S2 — CID 87375107

IUPAC5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide
SMILESCCCS(=O)(=O)NC(C)NS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H19BrN4O5S2/c1-3-6-25(21,22)18-8(2)19-26(23,24)13-10-7-9(15)4-5-11(10)17-12(13)14(16)20/h4-5,7-8,17-19H,3,6H2,1-2H3,(H2,16,20)
InChIKeyOTXUMPZHLVSYNX-UHFFFAOYSA-N
MW467.37 g/mol
LogP0.98
Rot. Bonds8

About 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide

5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide (PubChem CID 87375107) has the molecular formula C14H19BrN4O5S2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide
PubChem CID87375107
Molecular FormulaC14H19BrN4O5S2
Molecular Weight467.37 g/mol
Exact Mass466.00
IUPAC Name5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide
SMILESCCCS(=O)(=O)NC(C)NS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H19BrN4O5S2/c1-3-6-25(21,22)18-8(2)19-26(23,24)13-10-7-9(15)4-5-11(10)17-12(13)14(16)20/h4-5,7-8,17-19H,3,6H2,1-2H3,(H2,16,20)
InChIKeyOTXUMPZHLVSYNX-UHFFFAOYSA-N
XLogP0.98
TPSA151.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide 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 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide (CID 87375107) is 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide is CCCS(=O)(=O)NC(C)NS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide?
The InChIKey is OTXUMPZHLVSYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O5S2/c1-3-6-25(21,22)18-8(2)19-26(23,24)13-10-7-9(15)4-5-11(10)17-12(13)14(16)20/h4-5,7-8,17-19H,3,6H2,1-2H3,(H2,16,20).
What are the key properties of 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide?
5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 0.98, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 87375107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).