2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide

C21H14N4O4S — CID 55896214

IUPAC2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cccc(Oc4cnccn4)c3)c3cccc1c23
InChIInChI=1S/C21H14N4O4S/c26-21-16-6-2-5-15-18(8-7-17(24-21)20(15)16)30(27,28)25-13-3-1-4-14(11-13)29-19-12-22-9-10-23-19/h1-12,25H,(H,24,26)
InChIKeyIKPLNOSLMVXLHA-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.79
Rot. Bonds5

About 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55896214) has the molecular formula C21H14N4O4S and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55896214
Molecular FormulaC21H14N4O4S
Molecular Weight418.43 g/mol
Exact Mass418.07
IUPAC Name2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cccc(Oc4cnccn4)c3)c3cccc1c23
InChIInChI=1S/C21H14N4O4S/c26-21-16-6-2-5-15-18(8-7-17(24-21)20(15)16)30(27,28)25-13-3-1-4-14(11-13)29-19-12-22-9-10-23-19/h1-12,25H,(H,24,26)
InChIKeyIKPLNOSLMVXLHA-UHFFFAOYSA-N
XLogP3.79
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 40313509
CID 40313509
CID 40313521
CID 40313521
CID 37315990
CID 37315990
CID 37315998
CID 37315998
CID 39836329
CID 39836329
CID 40313484
CID 40313484
CID 40313495
CID 40313495
CID 40313543
CID 40313543
CID 40313591
CID 40313591
CID 40314031
CID 40314031
CID 40315219
CID 40315219
CID 40315233
CID 40315233

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide (CID 55896214) is 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3cccc(Oc4cnccn4)c3)c3cccc1c23.
What is the InChIKey of 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is IKPLNOSLMVXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4S/c26-21-16-6-2-5-15-18(8-7-17(24-21)20(15)16)30(27,28)25-13-3-1-4-14(11-13)29-19-12-22-9-10-23-19/h1-12,25H,(H,24,26).
What are the key properties of 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 418.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55896214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).