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

C12H14BrN3O3S — CID 15604702

IUPAC5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide
SMILESCCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H14BrN3O3S/c1-2-5-15-20(18,19)11-8-6-7(13)3-4-9(8)16-10(11)12(14)17/h3-4,6,15-16H,2,5H2,1H3,(H2,14,17)
InChIKeyTYWVHGZFRKBXHQ-UHFFFAOYSA-N
MW360.23 g/mol
LogP1.72
Rot. Bonds5

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

5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide (PubChem CID 15604702) has the molecular formula C12H14BrN3O3S and a molecular weight of 360.23 g/mol. Its IUPAC name is 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide
PubChem CID15604702
Molecular FormulaC12H14BrN3O3S
Molecular Weight360.23 g/mol
Exact Mass358.99
IUPAC Name5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide
SMILESCCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H14BrN3O3S/c1-2-5-15-20(18,19)11-8-6-7(13)3-4-9(8)16-10(11)12(14)17/h3-4,6,15-16H,2,5H2,1H3,(H2,14,17)
InChIKeyTYWVHGZFRKBXHQ-UHFFFAOYSA-N
XLogP1.72
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide (CID 15604702) is 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide is CCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide?
The InChIKey is TYWVHGZFRKBXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S/c1-2-5-15-20(18,19)11-8-6-7(13)3-4-9(8)16-10(11)12(14)17/h3-4,6,15-16H,2,5H2,1H3,(H2,14,17).
What are the key properties of 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide?
5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide has a molecular weight of 360.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 15604702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).