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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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).