3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide

C19H20BrN3O3S — CID 46493490

IUPAC3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C19H20BrN3O3S/c1-22(2)27(25,26)16-11-7-4-8-13(16)12-21-19(24)18-17(20)14-9-5-6-10-15(14)23(18)3/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyGZCUZYODAOIFRU-UHFFFAOYSA-N
MW450.36 g/mol
LogP3.12
Rot. Bonds5

About 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide

3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide (PubChem CID 46493490) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
PubChem CID46493490
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC Name3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1c(Br)c2ccccc2n1C
InChIInChI=1S/C19H20BrN3O3S/c1-22(2)27(25,26)16-11-7-4-8-13(16)12-21-19(24)18-17(20)14-9-5-6-10-15(14)23(18)3/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyGZCUZYODAOIFRU-UHFFFAOYSA-N
XLogP3.12
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide (CID 46493490) is 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1c(Br)c2ccccc2n1C.
What is the InChIKey of 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The InChIKey is GZCUZYODAOIFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c1-22(2)27(25,26)16-11-7-4-8-13(16)12-21-19(24)18-17(20)14-9-5-6-10-15(14)23(18)3/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide has a molecular weight of 450.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 46493490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).