3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide

C21H24BrN3O3S — CID 55789645

IUPAC3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2c(Br)c3ccccc3n2C)cc1
InChIInChI=1S/C21H24BrN3O3S/c1-4-25(5-2)29(27,28)16-12-10-15(11-13-16)14-23-21(26)20-19(22)17-8-6-7-9-18(17)24(20)3/h6-13H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyJAEDHAXUWNVZPR-UHFFFAOYSA-N
MW478.41 g/mol
LogP3.90
Rot. Bonds7

About 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide

3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide (PubChem CID 55789645) has the molecular formula C21H24BrN3O3S and a molecular weight of 478.41 g/mol. Its IUPAC name is 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
PubChem CID55789645
Molecular FormulaC21H24BrN3O3S
Molecular Weight478.41 g/mol
Exact Mass477.07
IUPAC Name3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2c(Br)c3ccccc3n2C)cc1
InChIInChI=1S/C21H24BrN3O3S/c1-4-25(5-2)29(27,28)16-12-10-15(11-13-16)14-23-21(26)20-19(22)17-8-6-7-9-18(17)24(20)3/h6-13H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyJAEDHAXUWNVZPR-UHFFFAOYSA-N
XLogP3.90
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756401
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
3-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-methylindole-2-carboxamide
CID 55790270
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide
CID 55665645
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
CID 50802016
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide
CID 26423118

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide (CID 55789645) is 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2c(Br)c3ccccc3n2C)cc1.
What is the InChIKey of 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The InChIKey is JAEDHAXUWNVZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O3S/c1-4-25(5-2)29(27,28)16-12-10-15(11-13-16)14-23-21(26)20-19(22)17-8-6-7-9-18(17)24(20)3/h6-13H,4-5,14H2,1-3H3,(H,23,26).
What are the key properties of 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide has a molecular weight of 478.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 55789645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).