1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

C20H23BrN2O3S — CID 26765097

IUPAC1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O3S/c1-3-22(4-2)27(25,26)18-9-10-19-16(14-18)11-12-23(19)20(24)13-15-5-7-17(21)8-6-15/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyVHBQBVOIEGQIRV-UHFFFAOYSA-N
MW451.39 g/mol
LogP3.61
Rot. Bonds6

About 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 26765097) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID26765097
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O3S/c1-3-22(4-2)27(25,26)18-9-10-19-16(14-18)11-12-23(19)20(24)13-15-5-7-17(21)8-6-15/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyVHBQBVOIEGQIRV-UHFFFAOYSA-N
XLogP3.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55633412
N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 78873057
1-[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 55759920
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
4-bromo-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 100794106
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N,N-diethyl-1-[4-(ethylsulfanylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 52696465
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 56580624
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
N,N-diethyl-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 119696154

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (CID 26765097) is 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VHBQBVOIEGQIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-3-22(4-2)27(25,26)18-9-10-19-16(14-18)11-12-23(19)20(24)13-15-5-7-17(21)8-6-15/h5-10,14H,3-4,11-13H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 451.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26765097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).