2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide

C21H16N4O3S — CID 55895069

IUPAC2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccccc3Cn3cccn3)c3cccc1c23
InChIInChI=1S/C21H16N4O3S/c26-21-16-7-3-6-15-19(10-9-18(23-21)20(15)16)29(27,28)24-17-8-2-1-5-14(17)13-25-12-4-11-22-25/h1-12,24H,13H2,(H,23,26)
InChIKeyKZYBXGCCKQDLTG-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.45
Rot. Bonds5

About 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55895069) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55895069
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccccc3Cn3cccn3)c3cccc1c23
InChIInChI=1S/C21H16N4O3S/c26-21-16-7-3-6-15-19(10-9-18(23-21)20(15)16)29(27,28)24-17-8-2-1-5-14(17)13-25-12-4-11-22-25/h1-12,24H,13H2,(H,23,26)
InChIKeyKZYBXGCCKQDLTG-UHFFFAOYSA-N
XLogP3.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534876
N-methyl-2-oxo-N-[2-(2-pyridinyl)ethyl]-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 2133620
1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654867
4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155536900
4-chloro-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155549078
2-keto-N-(2-pyridylmethyl)-1H-benzo[cd]indole-6-sulfonamide
CID 870241
1-ethyl-2-oxo-N-(pyridin-3-ylmethyl)-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534875
1-ethyl-2-oxo-N-(4-pyridinyl)-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 3110925

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide (CID 55895069) is 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3Cn3cccn3)c3cccc1c23.
What is the InChIKey of 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is KZYBXGCCKQDLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c26-21-16-7-3-6-15-19(10-9-18(23-21)20(15)16)29(27,28)24-17-8-2-1-5-14(17)13-25-12-4-11-22-25/h1-12,24H,13H2,(H,23,26).
What are the key properties of 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 404.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55895069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).