2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide

C18H18BrN3O3S — CID 25393245

IUPAC2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NCCCn2ccc3ccccc32)c1
InChIInChI=1S/C18H18BrN3O3S/c19-16-7-6-14(26(20,24)25)12-15(16)18(23)21-9-3-10-22-11-8-13-4-1-2-5-17(13)22/h1-2,4-8,11-12H,3,9-10H2,(H,21,23)(H2,20,24,25)
InChIKeyMZVFBNBBCFWJCV-UHFFFAOYSA-N
MW436.33 g/mol
LogP2.87
Rot. Bonds6

About 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide

2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide (PubChem CID 25393245) has the molecular formula C18H18BrN3O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
PubChem CID25393245
Molecular FormulaC18H18BrN3O3S
Molecular Weight436.33 g/mol
Exact Mass435.03
IUPAC Name2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NCCCn2ccc3ccccc32)c1
InChIInChI=1S/C18H18BrN3O3S/c19-16-7-6-14(26(20,24)25)12-15(16)18(23)21-9-3-10-22-11-8-13-4-1-2-5-17(13)22/h1-2,4-8,11-12H,3,9-10H2,(H,21,23)(H2,20,24,25)
InChIKeyMZVFBNBBCFWJCV-UHFFFAOYSA-N
XLogP2.87
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide (CID 25393245) is 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Br)c(C(=O)NCCCn2ccc3ccccc32)c1.
What is the InChIKey of 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide?
The InChIKey is MZVFBNBBCFWJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S/c19-16-7-6-14(26(20,24)25)12-15(16)18(23)21-9-3-10-22-11-8-13-4-1-2-5-17(13)22/h1-2,4-8,11-12H,3,9-10H2,(H,21,23)(H2,20,24,25).
What are the key properties of 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide?
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide has a molecular weight of 436.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 25393245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).