N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C20H13BrN4O3S — CID 55896507

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccccc3-n3cc(Br)cn3)c3cccc1c23
InChIInChI=1S/C20H13BrN4O3S/c21-12-10-22-25(11-12)17-7-2-1-6-15(17)24-29(27,28)18-9-8-16-19-13(18)4-3-5-14(19)20(26)23-16/h1-11,24H,(H,23,26)
InChIKeyQFRPWYZEGGWSRH-UHFFFAOYSA-N
MW469.32 g/mol
LogP4.15
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55896507) has the molecular formula C20H13BrN4O3S and a molecular weight of 469.32 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55896507
Molecular FormulaC20H13BrN4O3S
Molecular Weight469.32 g/mol
Exact Mass467.99
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccccc3-n3cc(Br)cn3)c3cccc1c23
InChIInChI=1S/C20H13BrN4O3S/c21-12-10-22-25(11-12)17-7-2-1-6-15(17)24-29(27,28)18-9-8-16-19-13(18)4-3-5-14(19)20(26)23-16/h1-11,24H,(H,23,26)
InChIKeyQFRPWYZEGGWSRH-UHFFFAOYSA-N
XLogP4.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.32
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-dioxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
CID 46230666
2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 52699197
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55764487
(3Z)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 60512082
1-methyl-2-oxo-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzo[cd]indole-6-sulfonamide
CID 167757354
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 25110235
N-(benzenesulfonyl)-5-pyrazol-1-ylnaphthalene-2-carboxamide
CID 176318399
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39694623
N-[2-(4-bromopyrazol-1-yl)phenyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 40163744
(3Z)-3-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 45896097
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699479
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide
CID 55647546

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 55896507) is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3-n3cc(Br)cn3)c3cccc1c23.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is QFRPWYZEGGWSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O3S/c21-12-10-22-25(11-12)17-7-2-1-6-15(17)24-29(27,28)18-9-8-16-19-13(18)4-3-5-14(19)20(26)23-16/h1-11,24H,(H,23,26).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 469.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55896507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).