5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide

C13H14BrN3O3S — CID 15604873

IUPAC5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCC1
InChIInChI=1S/C13H14BrN3O3S/c14-7-4-5-10-9(6-7)12(11(16-10)13(15)18)21(19,20)17-8-2-1-3-8/h4-6,8,16-17H,1-3H2,(H2,15,18)
InChIKeyLDZGOQDYDCHQFX-UHFFFAOYSA-N
MW372.24 g/mol
LogP1.86
Rot. Bonds4

About 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide

5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide (PubChem CID 15604873) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide
PubChem CID15604873
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC Name5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCC1
InChIInChI=1S/C13H14BrN3O3S/c14-7-4-5-10-9(6-7)12(11(16-10)13(15)18)21(19,20)17-8-2-1-3-8/h4-6,8,16-17H,1-3H2,(H2,15,18)
InChIKeyLDZGOQDYDCHQFX-UHFFFAOYSA-N
XLogP1.86
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide (CID 15604873) is 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCC1.
What is the InChIKey of 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide?
The InChIKey is LDZGOQDYDCHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c14-7-4-5-10-9(6-7)12(11(16-10)13(15)18)21(19,20)17-8-2-1-3-8/h4-6,8,16-17H,1-3H2,(H2,15,18).
What are the key properties of 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide?
5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide has a molecular weight of 372.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclobutylsulfamoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 15604873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).