3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide

C24H18Cl2FN3O3S — CID 164877791

IUPAC3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
SMILESO=C(N[C@H]1CCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)c1F
InChIInChI=1S/C24H18Cl2FN3O3S/c25-16-9-11-19(23-21(16)17(26)12-28-23)30-34(32,33)20-7-3-6-15(22(20)27)24(31)29-18-10-8-13-4-1-2-5-14(13)18/h1-7,9,11-12,18,28,30H,8,10H2,(H,29,31)/t18-/m0/s1
InChIKeyOIJQXLXHUTTYEG-SFHVURJKSA-N
MW518.40 g/mol
LogP5.83
Rot. Bonds5

About 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide

3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide (PubChem CID 164877791) has the molecular formula C24H18Cl2FN3O3S and a molecular weight of 518.40 g/mol. Its IUPAC name is 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
PubChem CID164877791
Molecular FormulaC24H18Cl2FN3O3S
Molecular Weight518.40 g/mol
Exact Mass517.04
IUPAC Name3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
SMILESO=C(N[C@H]1CCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)c1F
InChIInChI=1S/C24H18Cl2FN3O3S/c25-16-9-11-19(23-21(16)17(26)12-28-23)30-34(32,33)20-7-3-6-15(22(20)27)24(31)29-18-10-8-13-4-1-2-5-14(13)18/h1-7,9,11-12,18,28,30H,8,10H2,(H,29,31)/t18-/m0/s1
InChIKeyOIJQXLXHUTTYEG-SFHVURJKSA-N
XLogP5.83
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.40
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
CID 175760561
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-fluorobenzamide
CID 164877763
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
benzyl (1S,5R)-6-[[3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-2-fluorophenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877722
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
CID 171794448
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide?
The IUPAC name of 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide (CID 164877791) is 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide.
What is the SMILES notation for 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide?
The canonical SMILES for 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide is O=C(N[C@H]1CCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)c1F.
What is the InChIKey of 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide?
The InChIKey is OIJQXLXHUTTYEG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O3S/c25-16-9-11-19(23-21(16)17(26)12-28-23)30-34(32,33)20-7-3-6-15(22(20)27)24(31)29-18-10-8-13-4-1-2-5-14(13)18/h1-7,9,11-12,18,28,30H,8,10H2,(H,29,31)/t18-/m0/s1.
What are the key properties of 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide?
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide has a molecular weight of 518.40 g/mol, XLogP of 5.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide is sourced from PubChem (CID 164877791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).